N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine

C18H28N2O — CID 91480499

IUPACN,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine
SMILESCN(C)C(CCc1ccccc1)C1CCC(CN=O)CC1
InChIInChI=1S/C18H28N2O/c1-20(2)18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-21/h3-7,16-18H,8-14H2,1-2H3
InChIKeyANWFMFYSJSYQHH-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.12
Rot. Bonds7

About N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine

N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine (PubChem CID 91480499) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine
PubChem CID91480499
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine
SMILESCN(C)C(CCc1ccccc1)C1CCC(CN=O)CC1
InChIInChI=1S/C18H28N2O/c1-20(2)18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-21/h3-7,16-18H,8-14H2,1-2H3
InChIKeyANWFMFYSJSYQHH-UHFFFAOYSA-N
XLogP4.12
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine?
The IUPAC name of N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine (CID 91480499) is N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine is CN(C)C(CCc1ccccc1)C1CCC(CN=O)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine?
The InChIKey is ANWFMFYSJSYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(2)18(13-10-15-6-4-3-5-7-15)17-11-8-16(9-12-17)14-19-21/h3-7,16-18H,8-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine?
N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(nitrosomethyl)cyclohexyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 91480499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).