1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine

C17H36N2 — CID 65088226

IUPAC1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-15-9-8-11-17(13-18,12-10-15)19(6)14(2)16(3,4)5/h14-15H,7-13,18H2,1-6H3
InChIKeyIGXGKVBUYNVZLA-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.04
Rot. Bonds4

About 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine (PubChem CID 65088226) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
PubChem CID65088226
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1
InChIInChI=1S/C17H36N2/c1-7-15-9-8-11-17(13-18,12-10-15)19(6)14(2)16(3,4)5/h14-15H,7-13,18H2,1-6H3
InChIKeyIGXGKVBUYNVZLA-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
4-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethyl-N-methylazepan-4-amine
CID 65076321
N'-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65088324
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 63470399
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,2-dimethylcyclopentan-1-amine
CID 65045048
1-(aminomethyl)-N-(cyclopropylmethyl)-4-ethyl-N-propylcycloheptan-1-amine
CID 65088620
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-4-propylcyclohexan-1-amine
CID 63465758
1-(aminomethyl)-N-butyl-N-cyclopropyl-4-ethylcycloheptan-1-amine
CID 65087923

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine (CID 65088226) is 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine is CCC1CCCC(CN)(N(C)C(C)C(C)(C)C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine?
The InChIKey is IGXGKVBUYNVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15-9-8-11-17(13-18,12-10-15)19(6)14(2)16(3,4)5/h14-15H,7-13,18H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-4-ethyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 65088226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).