1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol

C16H26N2O — CID 112585300

IUPAC1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C2CCCCCC2)cn1
InChIInChI=1S/C16H26N2O/c1-3-16(19)15-11-10-14(12-17-15)18(2)13-8-6-4-5-7-9-13/h10-13,16,19H,3-9H2,1-2H3
InChIKeyPZXOUPUMVNPADU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.68
Rot. Bonds4

About 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol

1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 112585300) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID112585300
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)C2CCCCCC2)cn1
InChIInChI=1S/C16H26N2O/c1-3-16(19)15-11-10-14(12-17-15)18(2)13-8-6-4-5-7-9-13/h10-13,16,19H,3-9H2,1-2H3
InChIKeyPZXOUPUMVNPADU-UHFFFAOYSA-N
XLogP3.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-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

(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348
(1S)-1-[5-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]propan-1-ol
CID 103938300
1-[5-[cyclopentyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 112585280
(1S)-1-[5-[(4,4-dimethylcyclohexyl)-methylamino]-2-pyridinyl]propan-1-ol
CID 103938894
1-[5-[cyclopentyl(methyl)amino]-2-pyridinyl]ethanol
CID 83131595
(1S)-1-[5-[methyl(thiolan-3-yl)amino]-2-pyridinyl]propan-1-ol
CID 113355290
(1S)-1-[5-[cyclobutylmethyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938697
N-cyclohexyl-6-[1-(ethylamino)propyl]-N-methylpyridin-3-amine
CID 115939191
(1R)-1-[5-[cyclopentyl(3-methylbutyl)amino]-2-pyridinyl]propan-1-ol
CID 103938891
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
1-[4-[cyclopentyl(methyl)amino]phenyl]propan-1-ol
CID 114066765
(1R)-1-[5-[cyclopropyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355348

Frequently Asked Questions

What is the IUPAC name of 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol (CID 112585300) is 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)C2CCCCCC2)cn1.
What is the InChIKey of 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is PZXOUPUMVNPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-16(19)15-11-10-14(12-17-15)18(2)13-8-6-4-5-7-9-13/h10-13,16,19H,3-9H2,1-2H3.
What are the key properties of 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[cycloheptyl(methyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112585300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).