[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol

C13H27NO — CID 81410969

IUPAC[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-12(4-2)14-10-13(11-15)8-6-5-7-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyQRXKOFQLDPBGDY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol

[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol (PubChem CID 81410969) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol
PubChem CID81410969
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)NCC1(CO)CCCCC1
InChIInChI=1S/C13H27NO/c1-3-12(4-2)14-10-13(11-15)8-6-5-7-9-13/h12,14-15H,3-11H2,1-2H3
InChIKeyQRXKOFQLDPBGDY-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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-[(pentan-3-ylamino)methyl]cyclohexyl]methanol 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 [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol (CID 81410969) is [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol is CCC(CC)NCC1(CO)CCCCC1.
What is the InChIKey of [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol?
The InChIKey is QRXKOFQLDPBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-12(4-2)14-10-13(11-15)8-6-5-7-9-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol?
[1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(pentan-3-ylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 81410969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).