1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol

C16H26N2O — CID 103158165

IUPAC1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
SMILESCN(C)c1cccc(NCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-18(2)15-9-5-8-14(11-15)17-12-16(19)10-13-6-3-4-7-13/h5,8-9,11,13,16-17,19H,3-4,6-7,10,12H2,1-2H3
InChIKeyXOQMAHZVPCGJNK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.11
Rot. Bonds6

About 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol

1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol (PubChem CID 103158165) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
PubChem CID103158165
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
SMILESCN(C)c1cccc(NCC(O)CC2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-18(2)15-9-5-8-14(11-15)17-12-16(19)10-13-6-3-4-7-13/h5,8-9,11,13,16-17,19H,3-4,6-7,10,12H2,1-2H3
InChIKeyXOQMAHZVPCGJNK-UHFFFAOYSA-N
XLogP3.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol 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

N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
CID 103157568
1-[3-(dimethylamino)anilino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 115377776
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
CID 103157053
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
3-N,3-N-dimethyl-1-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,3-diamine
CID 114281857
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
2-amino-3-[3-(dimethylamino)anilino]propanoic acid
CID 103260466
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol (CID 103158165) is 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol is CN(C)c1cccc(NCC(O)CC2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol?
The InChIKey is XOQMAHZVPCGJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)15-9-5-8-14(11-15)17-12-16(19)10-13-6-3-4-7-13/h5,8-9,11,13,16-17,19H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol?
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol is sourced from PubChem (CID 103158165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).