3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol

C14H27NO — CID 79617786

IUPAC3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
SMILESCC(C)CCN(C1CC1)C1CCCC(O)C1
InChIInChI=1S/C14H27NO/c1-11(2)8-9-15(12-6-7-12)13-4-3-5-14(16)10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyGUGPCDOUDCCVBX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds5

About 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol

3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol (PubChem CID 79617786) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
PubChem CID79617786
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
SMILESCC(C)CCN(C1CC1)C1CCCC(O)C1
InChIInChI=1S/C14H27NO/c1-11(2)8-9-15(12-6-7-12)13-4-3-5-14(16)10-13/h11-14,16H,3-10H2,1-2H3
InChIKeyGUGPCDOUDCCVBX-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol (CID 79617786) is 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol is CC(C)CCN(C1CC1)C1CCCC(O)C1.
What is the InChIKey of 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol?
The InChIKey is GUGPCDOUDCCVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)8-9-15(12-6-7-12)13-4-3-5-14(16)10-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol?
3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79617786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).