[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine

C17H26N2 — CID 117400102

IUPAC[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C17H26N2/c18-14-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9H,1-5,10-14,18H2
InChIKeyLTZWXVJVTVGFCJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.45
Rot. Bonds3

About [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine

[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine (PubChem CID 117400102) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
PubChem CID117400102
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(N3CCCC3)cc2)CCCCC1
InChIInChI=1S/C17H26N2/c18-14-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9H,1-5,10-14,18H2
InChIKeyLTZWXVJVTVGFCJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclopentyl]-4-pyrrolidin-1-ylphenol
CID 117405590
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117463814
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-(3-chloro-4-pyrrolidin-1-ylphenyl)cyclobutyl]methanamine
CID 117416314
[4-[1-(aminomethyl)cyclohexyl]phenyl]boronic acid
CID 82070647
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[5,5-dimethyl-2-(4-piperidin-1-ylphenyl)-1,3-dioxan-2-yl]methanamine
CID 67797882
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619

Frequently Asked Questions

What is the IUPAC name of [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine (CID 117400102) is [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine is NCC1(c2ccc(N3CCCC3)cc2)CCCCC1.
What is the InChIKey of [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine?
The InChIKey is LTZWXVJVTVGFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-14-17(10-2-1-3-11-17)15-6-8-16(9-7-15)19-12-4-5-13-19/h6-9H,1-5,10-14,18H2.
What are the key properties of [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine?
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine has a molecular weight of 258.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117400102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).