2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine

C16H32N2 — CID 43478976

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CC1)C1CC(CC)CCC1CN
InChIInChI=1S/C16H32N2/c1-3-9-18(12-14-5-6-14)16-10-13(4-2)7-8-15(16)11-17/h13-16H,3-12,17H2,1-2H3
InChIKeyFNWXPASDRQAZBC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds7

About 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine

2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine (PubChem CID 43478976) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
PubChem CID43478976
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC1CC1)C1CC(CC)CCC1CN
InChIInChI=1S/C16H32N2/c1-3-9-18(12-14-5-6-14)16-10-13(4-2)7-8-15(16)11-17/h13-16H,3-12,17H2,1-2H3
InChIKeyFNWXPASDRQAZBC-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine (CID 43478976) is 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine is CCCN(CC1CC1)C1CC(CC)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is FNWXPASDRQAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-9-18(12-14-5-6-14)16-10-13(4-2)7-8-15(16)11-17/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine?
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 43478976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).