1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine

C17H28N2 — CID 65194136

IUPAC1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
SMILESCC(NC1(CN)CCCC(C)C1C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13-8-7-11-17(12-18,14(13)2)19-15(3)16-9-5-4-6-10-16/h4-6,9-10,13-15,19H,7-8,11-12,18H2,1-3H3
InChIKeyDNNOGOJEDBWRMH-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.49
Rot. Bonds4

About 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine

1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine (PubChem CID 65194136) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
PubChem CID65194136
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine
SMILESCC(NC1(CN)CCCC(C)C1C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-13-8-7-11-17(12-18,14(13)2)19-15(3)16-9-5-4-6-10-16/h4-6,9-10,13-15,19H,7-8,11-12,18H2,1-3H3
InChIKeyDNNOGOJEDBWRMH-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine (CID 65194136) is 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine is CC(NC1(CN)CCCC(C)C1C)c1ccccc1.
What is the InChIKey of 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine?
The InChIKey is DNNOGOJEDBWRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-7-11-17(12-18,14(13)2)19-15(3)16-9-5-4-6-10-16/h4-6,9-10,13-15,19H,7-8,11-12,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine?
1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2,3-dimethyl-N-(1-phenylethyl)cyclohexan-1-amine is sourced from PubChem (CID 65194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).