1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine

C18H38N2 — CID 65087976

IUPAC1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
SMILESCCCCN(C(C)CC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-14-20(16(3)7-2)18(15-19)11-9-10-17(4,5)12-13-18/h16H,6-15,19H2,1-5H3
InChIKeyNKRUMQDHBWCDRM-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.57
Rot. Bonds7

About 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine (PubChem CID 65087976) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
PubChem CID65087976
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine
SMILESCCCCN(C(C)CC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-14-20(16(3)7-2)18(15-19)11-9-10-17(4,5)12-13-18/h16H,6-15,19H2,1-5H3
InChIKeyNKRUMQDHBWCDRM-UHFFFAOYSA-N
XLogP4.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-butan-2-yl-N-butyl-1-methylazepan-4-amine
CID 65075573
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,1-dioxothian-3-amine
CID 63922457
3-(aminomethyl)-N-butan-2-yl-N-butyl-1-cyclopropylpyrrolidin-3-amine
CID 55141796
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 65087963
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
2-(aminomethyl)-N-butan-2-yl-N-butyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63466831
1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 80705046
N'-[1-(aminomethyl)-4,4-dimethylcycloheptyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65088625
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N-butyl-N-cyclopropylcyclobutan-1-amine
CID 79521257
8-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)spiro[4.5]decan-8-amine
CID 114818099

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine (CID 65087976) is 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine is CCCCN(C(C)CC)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine?
The InChIKey is NKRUMQDHBWCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-14-20(16(3)7-2)18(15-19)11-9-10-17(4,5)12-13-18/h16H,6-15,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-butyl-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65087976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).