ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide

C35H65N7O3 — CID 170955792

IUPACethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
SMILESCC.CC.CC.CC.CC(/C=N/C(C(=O)N1CCCC1C)C(C)C)=N/N.CC(NC=O)c1ccc(-c2cnccn2)cc1.CO
InChIInChI=1S/C13H24N4O.C13H13N3O.4C2H6.CH4O/c1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-10(16-9-17)11-2-4-12(5-3-11)13-8-14-6-7-15-13;5*1-2/h8-9,11-12H,5-7,14H2,1-4H3;2-10H,1H3,(H,16,17);4*1-2H3;2H,1H3/b15-8+,16-10-;;;;;;
InChIKeyUUZVHLINYAAJDC-PKIQDGMJSA-N
MW631.95 g/mol
LogP7.09
Rot. Bonds8

About ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide

ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide (PubChem CID 170955792) has the molecular formula C35H65N7O3 and a molecular weight of 631.95 g/mol. Its IUPAC name is ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide.

Molecular Properties

Compound Nameethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
PubChem CID170955792
Molecular FormulaC35H65N7O3
Molecular Weight631.95 g/mol
Exact Mass631.51
IUPAC Nameethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
SMILESCC.CC.CC.CC.CC(/C=N/C(C(=O)N1CCCC1C)C(C)C)=N/N.CC(NC=O)c1ccc(-c2cnccn2)cc1.CO
InChIInChI=1S/C13H24N4O.C13H13N3O.4C2H6.CH4O/c1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-10(16-9-17)11-2-4-12(5-3-11)13-8-14-6-7-15-13;5*1-2/h8-9,11-12H,5-7,14H2,1-4H3;2-10H,1H3,(H,16,17);4*1-2H3;2H,1H3/b15-8+,16-10-;;;;;;
InChIKeyUUZVHLINYAAJDC-PKIQDGMJSA-N
XLogP7.09
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.95
LogP ≤ 57.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)but-2-en-1-one;N-[1-(4-pyridin-4-ylphenyl)ethyl]formamide
CID 170955608
N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170954618
ethane;3-methyl-1-(2-methylpyrrolidin-1-yl)-2-(1,2-oxazol-5-yl)butan-1-one;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
CID 155584746
2-amino-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;(2R)-2-formamido-3-(4-phenylphenyl)propanamide
CID 163300688
N-[1-[4-(2-chlorophenyl)phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylideneethylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955910
[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
CID 170954750
1,2-dimethylpyrrolidine;2-(ethylamino)-3,3-dimethylbutanal;methanol;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
CID 162747695
2-amino-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;ethane;N-[[4-(4-hydroxy-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 156899132
2-amino-1-(2-methylpyrrolidin-1-yl)-2-(oxan-4-yl)ethanone;5-[4-(1-formamido-2-morpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid;methanol
CID 171105411
N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane
CID 143630936
1-(2-methylpiperidin-1-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133372121
1-(2-methylpropyl)-N-(7-pyrazin-2-ylquinazolin-2-yl)azepane-4-carboxamide
CID 138586722

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide?
The IUPAC name of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide (CID 170955792) is ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide.
What is the SMILES notation for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide?
The canonical SMILES for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide is CC.CC.CC.CC.CC(/C=N/C(C(=O)N1CCCC1C)C(C)C)=N/N.CC(NC=O)c1ccc(-c2cnccn2)cc1.CO.
What is the InChIKey of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide?
The InChIKey is UUZVHLINYAAJDC-PKIQDGMJSA-N. The full InChI is InChI=1S/C13H24N4O.C13H13N3O.4C2H6.CH4O/c1-9(2)12(15-8-10(3)16-14)13(18)17-7-5-6-11(17)4;1-10(16-9-17)11-2-4-12(5-3-11)13-8-14-6-7-15-13;5*1-2/h8-9,11-12H,5-7,14H2,1-4H3;2-10H,1H3,(H,16,17);4*1-2H3;2H,1H3/b15-8+,16-10-;;;;;;.
What are the key properties of ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide?
ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide has a molecular weight of 631.95 g/mol, XLogP of 7.09, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide is sourced from PubChem (CID 170955792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).