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

C18H28N2 — CID 43293647

IUPAC2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
SMILESCCN(C1CC1)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H28N2/c1-2-20(17-10-11-17)18-12-15(8-9-16(18)13-19)14-6-4-3-5-7-14/h3-7,15-18H,2,8-13,19H2,1H3
InChIKeyFHXKOCFEAMHIPV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.38
Rot. Bonds5

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

2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine (PubChem CID 43293647) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
PubChem CID43293647
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
SMILESCCN(C1CC1)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H28N2/c1-2-20(17-10-11-17)18-12-15(8-9-16(18)13-19)14-6-4-3-5-7-14/h3-7,15-18H,2,8-13,19H2,1H3
InChIKeyFHXKOCFEAMHIPV-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine (CID 43293647) is 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine is CCN(C1CC1)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine?
The InChIKey is FHXKOCFEAMHIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(17-10-11-17)18-12-15(8-9-16(18)13-19)14-6-4-3-5-7-14/h3-7,15-18H,2,8-13,19H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine?
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine is sourced from PubChem (CID 43293647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).