3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol

C14H29NO — CID 165491174

IUPAC3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol
SMILESCCCN(CCC)C1CC(O)CCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-9-15(10-6-2)13-11-12(16)7-8-14(13,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUPJXVUNASZPFCT-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds5

About 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol

3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol (PubChem CID 165491174) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol
PubChem CID165491174
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol
SMILESCCCN(CCC)C1CC(O)CCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-9-15(10-6-2)13-11-12(16)7-8-14(13,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyUPJXVUNASZPFCT-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol (CID 165491174) is 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol is CCCN(CCC)C1CC(O)CCC1(C)C.
What is the InChIKey of 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is UPJXVUNASZPFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-15(10-6-2)13-11-12(16)7-8-14(13,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol?
3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165491174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).