1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine

C17H28N2O — CID 102697260

IUPAC1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
SMILESCOC(C)CNC1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(20-2)12-19-17(13-18)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13,18H2,1-2H3
InChIKeyZEWXRRQGQYMTFC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.67
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine (PubChem CID 102697260) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
PubChem CID102697260
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
SMILESCOC(C)CNC1(CN)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-14(20-2)12-19-17(13-18)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13,18H2,1-2H3
InChIKeyZEWXRRQGQYMTFC-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine (CID 102697260) is 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine is COC(C)CNC1(CN)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine?
The InChIKey is ZEWXRRQGQYMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(20-2)12-19-17(13-18)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 102697260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).