2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide

C25H39N7O — CID 169150833

IUPAC2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide
SMILESC=Nc1c(OC)cccc1/C(N)=N/C=N\NC.CC.CC(C)(N)c1ccc(C2CCC2)nc1
InChIInChI=1S/C12H18N2.C11H15N5O.C2H6/c1-12(2,13)10-6-7-11(14-8-10)9-4-3-5-9;1-13-10-8(5-4-6-9(10)17-3)11(12)15-7-16-14-2;1-2/h6-9H,3-5,13H2,1-2H3;4-7,14H,1H2,2-3H3,(H2,12,15,16);1-2H3
InChIKeyFUZGVABFCYBIBV-UHFFFAOYSA-N
MW453.64 g/mol
LogP4.46
Rot. Bonds7

About 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide

2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide (PubChem CID 169150833) has the molecular formula C25H39N7O and a molecular weight of 453.64 g/mol. Its IUPAC name is 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide
PubChem CID169150833
Molecular FormulaC25H39N7O
Molecular Weight453.64 g/mol
Exact Mass453.32
IUPAC Name2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide
SMILESC=Nc1c(OC)cccc1/C(N)=N/C=N\NC.CC.CC(C)(N)c1ccc(C2CCC2)nc1
InChIInChI=1S/C12H18N2.C11H15N5O.C2H6/c1-12(2,13)10-6-7-11(14-8-10)9-4-3-5-9;1-13-10-8(5-4-6-9(10)17-3)11(12)15-7-16-14-2;1-2/h6-9H,3-5,13H2,1-2H3;4-7,14H,1H2,2-3H3,(H2,12,15,16);1-2H3
InChIKeyFUZGVABFCYBIBV-UHFFFAOYSA-N
XLogP4.46
TPSA123.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.64
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N'-[(Z)-N-(methylamino)-C-(3-methylcyclobutyl)carbonimidoyl]-2-(methylideneamino)benzenecarboximidamide
CID 169151147
5-tert-butyl-2-cyclohexylpyridine
CID 58094026
6-cyclopropyl-N-methylpyridin-3-amine;hydrochloride
CID 170918723
1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
CID 116970916
2-[4-[2-(methoxymethoxy)-4-(trifluoromethyl)phenoxy]cycloheptyl]-5-(trifluoromethyl)pyridine
CID 154547622
2,6-dimethoxy-N-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118326054
2-[5-[3-[4-[3-methoxy-2-(methylideneamino)phenyl]-1,2-dihydro-1,2,3,5-tetrazin-6-yl]cyclobutyl]-3-methylpyrazin-2-yl]propan-2-amine
CID 169150739
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
2-(3-methoxy-2-pyridinyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-methoxy-2-pyridinyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129136045
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
CID 116972034
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propan-2-amine
CID 117343498

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide?
The IUPAC name of 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide (CID 169150833) is 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide.
What is the SMILES notation for 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide?
The canonical SMILES for 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide is C=Nc1c(OC)cccc1/C(N)=N/C=N\NC.CC.CC(C)(N)c1ccc(C2CCC2)nc1.
What is the InChIKey of 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide?
The InChIKey is FUZGVABFCYBIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H15N5O.C2H6/c1-12(2,13)10-6-7-11(14-8-10)9-4-3-5-9;1-13-10-8(5-4-6-9(10)17-3)11(12)15-7-16-14-2;1-2/h6-9H,3-5,13H2,1-2H3;4-7,14H,1H2,2-3H3,(H2,12,15,16);1-2H3.
What are the key properties of 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide?
2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide has a molecular weight of 453.64 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclobutyl-3-pyridinyl)propan-2-amine;ethane;3-methoxy-N'-[(Z)-(methylhydrazinylidene)methyl]-2-(methylideneamino)benzenecarboximidamide is sourced from PubChem (CID 169150833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).