2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide

C20H39N5O2 — CID 163302941

IUPAC2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide
SMILESCC(C)(C)C(C=O)N(N)/C=C(\N)C1CC1.CN1CCCC1C1CC1.NC=O
InChIInChI=1S/C11H21N3O.C8H15N.CH3NO/c1-11(2,3)10(7-15)14(13)6-9(12)8-4-5-8;1-9-6-2-3-8(9)7-4-5-7;2-1-3/h6-8,10H,4-5,12-13H2,1-3H3;7-8H,2-6H2,1H3;1H,(H2,2,3)/b9-6-;;
InChIKeyACXCSFATBUJOCW-MPTFJDTDSA-N
MW381.57 g/mol
LogP1.58
Rot. Bonds5

About 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide

2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide (PubChem CID 163302941) has the molecular formula C20H39N5O2 and a molecular weight of 381.57 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide
PubChem CID163302941
Molecular FormulaC20H39N5O2
Molecular Weight381.57 g/mol
Exact Mass381.31
IUPAC Name2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide
SMILESCC(C)(C)C(C=O)N(N)/C=C(\N)C1CC1.CN1CCCC1C1CC1.NC=O
InChIInChI=1S/C11H21N3O.C8H15N.CH3NO/c1-11(2,3)10(7-15)14(13)6-9(12)8-4-5-8;1-9-6-2-3-8(9)7-4-5-7;2-1-3/h6-8,10H,4-5,12-13H2,1-3H3;7-8H,2-6H2,1H3;1H,(H2,2,3)/b9-6-;;
InChIKeyACXCSFATBUJOCW-MPTFJDTDSA-N
XLogP1.58
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;ethane;2-ethylsulfanyl-N-methylcyclohexan-1-amine;methanol;1-methylpyrrolidine-2-carbaldehyde
CID 163386560
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;formic acid
CID 163300619
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
CID 143494169
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 131686525
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-1-[2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;2-ethylsulfanylcyclohexan-1-amine
CID 163386904
1-ethyl-4-(1-methylpyrrolidin-2-yl)piperidine
CID 178005282
1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbaldehyde
CID 81205443
1-methyl-2-(oxan-4-yl)pyrrolidine
CID 76626708

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide (CID 163302941) is 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide is CC(C)(C)C(C=O)N(N)/C=C(\N)C1CC1.CN1CCCC1C1CC1.NC=O.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide?
The InChIKey is ACXCSFATBUJOCW-MPTFJDTDSA-N. The full InChI is InChI=1S/C11H21N3O.C8H15N.CH3NO/c1-11(2,3)10(7-15)14(13)6-9(12)8-4-5-8;1-9-6-2-3-8(9)7-4-5-7;2-1-3/h6-8,10H,4-5,12-13H2,1-3H3;7-8H,2-6H2,1H3;1H,(H2,2,3)/b9-6-;;.
What are the key properties of 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide?
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide has a molecular weight of 381.57 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanal;2-cyclopropyl-1-methylpyrrolidine;formamide is sourced from PubChem (CID 163302941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).