3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol

C14H29NO — CID 65105869

IUPAC3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(16,6-2)11-15-12-7-9-13(3,4)10-8-12/h12,15-16H,5-11H2,1-4H3
InChIKeyUYSISSCDUYADJY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.10
Rot. Bonds5

About 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol

3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol (PubChem CID 65105869) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
PubChem CID65105869
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(16,6-2)11-15-12-7-9-13(3,4)10-8-12/h12,15-16H,5-11H2,1-4H3
InChIKeyUYSISSCDUYADJY-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol (CID 65105869) is 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCC(C)(C)CC1.
What is the InChIKey of 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol?
The InChIKey is UYSISSCDUYADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(16,6-2)11-15-12-7-9-13(3,4)10-8-12/h12,15-16H,5-11H2,1-4H3.
What are the key properties of 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol?
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65105869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).