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

C19H30N2 — CID 43568806

IUPAC2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine
SMILESCC(C1CC1)N(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H30N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3
InChIKeyBSCHAAIAEFIOBA-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.63
Rot. Bonds5

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

2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine (PubChem CID 43568806) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine
PubChem CID43568806
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine
SMILESCC(C1CC1)N(C)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C19H30N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3
InChIKeyBSCHAAIAEFIOBA-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine (CID 43568806) is 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine is CC(C1CC1)N(C)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine?
The InChIKey is BSCHAAIAEFIOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(15-8-9-15)21(2)19-12-17(10-11-18(19)13-20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13,20H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine?
2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-cyclopropylethyl)-N-methyl-5-phenylcyclohexan-1-amine is sourced from PubChem (CID 43568806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).