1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide

C13H26N2O — CID 80588231

IUPAC1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyAVIQBGRZIVZCLQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds7

About 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide (PubChem CID 80588231) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
PubChem CID80588231
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)CCCC(C)NC(=O)C1(CN)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyAVIQBGRZIVZCLQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393
1-(aminomethyl)-N-(5-methylhexan-2-yl)cyclohexane-1-carboxamide
CID 63926094
1-(aminomethyl)-N-octan-2-ylcyclobutane-1-carboxamide
CID 80587125
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
1-cyano-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide
CID 80598370
1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80588338
4-methyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 63122377
1-(aminomethyl)-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 115437743
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
4-methoxy-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 119673358
4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
1-(aminomethyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 115434776

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide (CID 80588231) is 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide is CC(C)CCCC(C)NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is AVIQBGRZIVZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)5-4-6-11(3)15-12(16)13(9-14)7-8-13/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(6-methylheptan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80588231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).