4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol

C13H27NO — CID 165491668

IUPAC4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(C(C)C)C1CC(O)CCC1C
InChIInChI=1S/C13H27NO/c1-5-8-14(10(2)3)13-9-12(15)7-6-11(13)4/h10-13,15H,5-9H2,1-4H3
InChIKeyUNDMBLMXLYAPFU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds4

About 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol

4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol (PubChem CID 165491668) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
PubChem CID165491668
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(C(C)C)C1CC(O)CCC1C
InChIInChI=1S/C13H27NO/c1-5-8-14(10(2)3)13-9-12(15)7-6-11(13)4/h10-13,15H,5-9H2,1-4H3
InChIKeyUNDMBLMXLYAPFU-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol (CID 165491668) is 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol is CCCN(C(C)C)C1CC(O)CCC1C.
What is the InChIKey of 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The InChIKey is UNDMBLMXLYAPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14(10(2)3)13-9-12(15)7-6-11(13)4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).