2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine

C18H30N2 — CID 43293727

IUPAC2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
SMILESCC(C)CN(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H30N2/c1-14(2)13-20(3)18-11-16(9-10-17(18)12-19)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,19H2,1-3H3
InChIKeyFJTVXROESKMBBX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.49
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine

2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine (PubChem CID 43293727) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
PubChem CID43293727
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
SMILESCC(C)CN(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H30N2/c1-14(2)13-20(3)18-11-16(9-10-17(18)12-19)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,19H2,1-3H3
InChIKeyFJTVXROESKMBBX-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine (CID 43293727) is 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine is CC(C)CN(C)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine?
The InChIKey is FJTVXROESKMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)13-20(3)18-11-16(9-10-17(18)12-19)15-7-5-4-6-8-15/h4-8,14,16-18H,9-13,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine?
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine is sourced from PubChem (CID 43293727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).