1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine

C13H28N2O — CID 102697325

IUPAC1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
SMILESCOC(C)CNC1(CN)CCCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-11-5-4-7-13(10-14,8-6-11)15-9-12(2)16-3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDJVHCKJYGSCPTG-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine

1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine (PubChem CID 102697325) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
PubChem CID102697325
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
SMILESCOC(C)CNC1(CN)CCCC(C)CC1
InChIInChI=1S/C13H28N2O/c1-11-5-4-7-13(10-14,8-6-11)15-9-12(2)16-3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDJVHCKJYGSCPTG-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
CID 102697177
1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
CID 102697260
4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine
CID 102697133
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357
1-(aminomethyl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64500541
3-(aminomethyl)-N-(2-methoxypropyl)-2-methylthian-3-amine
CID 102697085
1-(aminomethyl)-N-(2-methylpropyl)-4-propan-2-ylcyclohexan-1-amine
CID 65385412
1-(aminomethyl)-N-ethyl-4-propan-2-ylcycloheptan-1-amine
CID 65089340
2-(aminomethyl)-N-(2-methoxypropyl)-1,3-dihydroinden-2-amine
CID 102697309
3-(aminomethyl)-N-(2-methoxypropyl)-5,5-dimethylthian-3-amine
CID 102697134
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclooctan-1-amine
CID 102912617
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine (CID 102697325) is 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine is COC(C)CNC1(CN)CCCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine?
The InChIKey is DJVHCKJYGSCPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-5-4-7-13(10-14,8-6-11)15-9-12(2)16-3/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine?
1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 102697325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).