4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol

C15H29NO — CID 165488088

IUPAC4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol
SMILESCC1(C)CCC(C(CO)CCNC2CC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2)8-5-12(6-9-15)13(11-17)7-10-16-14-3-4-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyLYBGHSNQIVKYHE-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.95
Rot. Bonds6

About 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol

4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol (PubChem CID 165488088) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol
PubChem CID165488088
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol
SMILESCC1(C)CCC(C(CO)CCNC2CC2)CC1
InChIInChI=1S/C15H29NO/c1-15(2)8-5-12(6-9-15)13(11-17)7-10-16-14-3-4-14/h12-14,16-17H,3-11H2,1-2H3
InChIKeyLYBGHSNQIVKYHE-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol?
The IUPAC name of 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol (CID 165488088) is 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol.
What is the SMILES notation for 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol?
The canonical SMILES for 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol is CC1(C)CCC(C(CO)CCNC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol?
The InChIKey is LYBGHSNQIVKYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-15(2)8-5-12(6-9-15)13(11-17)7-10-16-14-3-4-14/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol?
4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-(4,4-dimethylcyclohexyl)butan-1-ol is sourced from PubChem (CID 165488088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).