N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine

C16H32N2 — CID 103562769

IUPACN-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC(C)C1CC(CN)(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H32N2/c1-12(2)14-9-16(10-14,11-17)18(4)15-8-6-5-7-13(15)3/h12-15H,5-11,17H2,1-4H3
InChIKeyOIBNLXIPXDDYBS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine

N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 103562769) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID103562769
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC(C)C1CC(CN)(N(C)C2CCCCC2C)C1
InChIInChI=1S/C16H32N2/c1-12(2)14-9-16(10-14,11-17)18(4)15-8-6-5-7-13(15)3/h12-15H,5-11,17H2,1-4H3
InChIKeyOIBNLXIPXDDYBS-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)-4-propan-2-ylcyclohexan-1-amine
CID 63467007
3-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxolan-3-amine
CID 63335338
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
4-(aminomethyl)-N-methyl-N-(2-methylcyclohexyl)oxepan-4-amine
CID 65079445
1-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)-3-propan-2-ylcyclobutan-1-amine
CID 103562758
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 79847113
1-(aminomethyl)-N-butyl-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562532
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(aminomethyl)-N-methyl-N-pentyl-3-propan-2-ylcyclobutan-1-amine
CID 103562597
1-N-methyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 130563493

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine (CID 103562769) is N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine is CC(C)C1CC(CN)(N(C)C2CCCCC2C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is OIBNLXIPXDDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)14-9-16(10-14,11-17)18(4)15-8-6-5-7-13(15)3/h12-15H,5-11,17H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine?
N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103562769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).