3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol

C14H29NO — CID 64753449

IUPAC3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(C(C)C)C1C(C)CC(C)CC1O
InChIInChI=1S/C14H29NO/c1-6-7-15(10(2)3)14-12(5)8-11(4)9-13(14)16/h10-14,16H,6-9H2,1-5H3
InChIKeyANYTYCONLJQWHU-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.90
Rot. Bonds4

About 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol

3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol (PubChem CID 64753449) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
PubChem CID64753449
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
SMILESCCCN(C(C)C)C1C(C)CC(C)CC1O
InChIInChI=1S/C14H29NO/c1-6-7-15(10(2)3)14-12(5)8-11(4)9-13(14)16/h10-14,16H,6-9H2,1-5H3
InChIKeyANYTYCONLJQWHU-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
CID 79483325
2-[ethyl(1-methoxypropan-2-yl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64752459
3,5-dimethyl-2-[methyl(pentyl)amino]cyclohexan-1-ol
CID 64751671
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
2-[2-ethoxyethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751103
N-ethyl-2,4-dimethyl-N-propan-2-ylcyclopentan-1-amine
CID 143368043
2-[cyclopropylmethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751878
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
CID 43269484
3,5-dimethyl-2-N,2-N-dipropylcyclohexane-1,2-diamine
CID 64724227
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 80561596
2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 107871197

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol (CID 64753449) is 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol is CCCN(C(C)C)C1C(C)CC(C)CC1O.
What is the InChIKey of 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
The InChIKey is ANYTYCONLJQWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-7-15(10(2)3)14-12(5)8-11(4)9-13(14)16/h10-14,16H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol?
3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 64753449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).