1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol

C13H27NO — CID 70050370

IUPAC1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol
SMILESCCC(O)C1(CNC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-12(15)13(10-14-11(2)3)8-6-5-7-9-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyUYGOLHBKKKXRFY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds5

About 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol

1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol (PubChem CID 70050370) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol
PubChem CID70050370
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol
SMILESCCC(O)C1(CNC(C)C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-12(15)13(10-14-11(2)3)8-6-5-7-9-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyUYGOLHBKKKXRFY-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]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

(6S,7R)-2-azaspiro[5.5]undecan-7-ol
CID 442651
2-Azaspiro[5.5]undecan-7-ol
CID 3555988
Isonitramine
CID 11789622
2-[(Methylamino)methyl]cyclohexan-1-ol
CID 541636
(6R,7R)-2-azaspiro[5.5]undecan-7-ol
CID 10888332
(6R,11S)-2-azaspiro[5.5]undecan-11-ol
CID 11008336
2-(Pyrrolidin-2-yl)cyclohexan-1-ol
CID 79546692
(6S)-2-azaspiro[5.5]undecan-11-ol
CID 6102307
[2-(Cyclohexylamino)-1-methylcyclopentyl]methanol
CID 71926583
4-(2-(Methylamino)propyl)cyclohexanol
CID 115669
3-Azaspiro[5.5]undecan-9-ol
CID 84717345
(2S,4R)-4-fluoro-7,7-dimethyl-8-(propan-2-ylamino)octan-2-ol
CID 164170818

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol?
The IUPAC name of 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol (CID 70050370) is 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol.
What is the SMILES notation for 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol?
The canonical SMILES for 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol is CCC(O)C1(CNC(C)C)CCCCC1.
What is the InChIKey of 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol?
The InChIKey is UYGOLHBKKKXRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-12(15)13(10-14-11(2)3)8-6-5-7-9-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol?
1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 70050370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).