2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine

C19H32N2 — CID 43293547

IUPAC2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
SMILESCCCCN(CC)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H32N2/c1-3-5-13-21(4-2)19-14-17(11-12-18(19)15-20)16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15,20H2,1-2H3
InChIKeyINTJTCRKKXPQHX-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds7

About 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine

2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine (PubChem CID 43293547) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
PubChem CID43293547
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
SMILESCCCCN(CC)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H32N2/c1-3-5-13-21(4-2)19-14-17(11-12-18(19)15-20)16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15,20H2,1-2H3
InChIKeyINTJTCRKKXPQHX-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine (CID 43293547) is 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine is CCCCN(CC)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine?
The InChIKey is INTJTCRKKXPQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-5-13-21(4-2)19-14-17(11-12-18(19)15-20)16-9-7-6-8-10-16/h6-10,17-19H,3-5,11-15,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine?
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine is sourced from PubChem (CID 43293547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).