1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

C16H34N2 — CID 65087963

IUPAC1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCN(CC(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3
InChIKeyIKWJPFHNGLZZFY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine

1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (PubChem CID 65087963) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
PubChem CID65087963
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
SMILESCCN(CC(C)C)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3
InChIKeyIKWJPFHNGLZZFY-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine (CID 65087963) is 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is CCN(CC(C)C)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
The InChIKey is IKWJPFHNGLZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-18(12-14(2)3)16(13-17)9-7-8-15(4,5)10-11-16/h14H,6-13,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65087963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).