N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane

C12H26N2O — CID 170721292

IUPACN-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane
SMILESCC.C[C@]1(CN)CCC[C@@H](CNC=O)C1
InChIInChI=1S/C10H20N2O.C2H6/c1-10(7-11)4-2-3-9(5-10)6-12-8-13;1-2/h8-9H,2-7,11H2,1H3,(H,12,13);1-2H3/t9-,10+;/m1./s1
InChIKeyXOUIAJWAQVHSQL-UXQCFNEQSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds4

About N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane

N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane (PubChem CID 170721292) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane.

Molecular Properties

Compound NameN-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane
PubChem CID170721292
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane
SMILESCC.C[C@]1(CN)CCC[C@@H](CNC=O)C1
InChIInChI=1S/C10H20N2O.C2H6/c1-10(7-11)4-2-3-9(5-10)6-12-8-13;1-2/h8-9H,2-7,11H2,1H3,(H,12,13);1-2H3/t9-,10+;/m1./s1
InChIKeyXOUIAJWAQVHSQL-UXQCFNEQSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[(1R,3R)-3-ethyl-1-methylcyclohexyl]methanamine
CID 124509465
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide
CID 87717758
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
N-[(3,3-difluorocyclobutyl)methyl]formamide
CID 130859227
(3-ethyl-1-methylcyclopentyl)methanamine
CID 65407293
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
N-[[3-(aminomethyl)cyclobutyl]methyl]formamide
CID 166140310
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
ethane;N-[(1-methylpyrrolidin-3-yl)methyl]formamide
CID 145231026
3-[[(1-methylcyclopentyl)methylamino]methyl]cyclohexan-1-amine
CID 63831792
1-cyclopentyl-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822365
(1-methylcyclooctyl)methanamine
CID 80603984

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane?
The IUPAC name of N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane (CID 170721292) is N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane.
What is the SMILES notation for N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane?
The canonical SMILES for N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane is CC.C[C@]1(CN)CCC[C@@H](CNC=O)C1.
What is the InChIKey of N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane?
The InChIKey is XOUIAJWAQVHSQL-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-10(7-11)4-2-3-9(5-10)6-12-8-13;1-2/h8-9H,2-7,11H2,1H3,(H,12,13);1-2H3/t9-,10+;/m1./s1.
What are the key properties of N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane?
N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane has a molecular weight of 214.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-3-(aminomethyl)-3-methylcyclohexyl]methyl]formamide;ethane is sourced from PubChem (CID 170721292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).