1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C16H32N2 — CID 107397761

IUPAC1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H32N2/c1-4-18(12-14-8-7-9-14)16(13-17)11-6-5-10-15(16,2)3/h14H,4-13,17H2,1-3H3
InChIKeyNKYXNMJHBZXGTI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds5

About 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 107397761) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID107397761
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCN(CC1CCC1)C1(CN)CCCCC1(C)C
InChIInChI=1S/C16H32N2/c1-4-18(12-14-8-7-9-14)16(13-17)11-6-5-10-15(16,2)3/h14H,4-13,17H2,1-3H3
InChIKeyNKYXNMJHBZXGTI-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 107397761) is 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCN(CC1CCC1)C1(CN)CCCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NKYXNMJHBZXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-18(12-14-8-7-9-14)16(13-17)11-6-5-10-15(16,2)3/h14H,4-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107397761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).