4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol

C13H27NO — CID 115975917

IUPAC4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(C)(NC(C)CCCO)CC1
InChIInChI=1S/C13H27NO/c1-11-6-8-13(3,9-7-11)14-12(2)5-4-10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyXFZCFAKGYQQLEE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds5

About 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol

4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol (PubChem CID 115975917) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol
PubChem CID115975917
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(C)(NC(C)CCCO)CC1
InChIInChI=1S/C13H27NO/c1-11-6-8-13(3,9-7-11)14-12(2)5-4-10-15/h11-12,14-15H,4-10H2,1-3H3
InChIKeyXFZCFAKGYQQLEE-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol (CID 115975917) is 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol is CC1CCC(C)(NC(C)CCCO)CC1.
What is the InChIKey of 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is XFZCFAKGYQQLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-6-8-13(3,9-7-11)14-12(2)5-4-10-15/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol?
4-[(1,4-dimethylcyclohexyl)amino]pentan-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 4-[(1,4-dimethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 115975917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).