3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol

C17H35NO — CID 79483325

IUPAC3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
SMILESCCC(CC)N(CC(C)C)C1C(C)CC(C)CC1O
InChIInChI=1S/C17H35NO/c1-7-15(8-2)18(11-12(3)4)17-14(6)9-13(5)10-16(17)19/h12-17,19H,7-11H2,1-6H3
InChIKeyVRRPWCFRGKHQLY-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.93
Rot. Bonds6

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

3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol (PubChem CID 79483325) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
PubChem CID79483325
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol
SMILESCCC(CC)N(CC(C)C)C1C(C)CC(C)CC1O
InChIInChI=1S/C17H35NO/c1-7-15(8-2)18(11-12(3)4)17-14(6)9-13(5)10-16(17)19/h12-17,19H,7-11H2,1-6H3
InChIKeyVRRPWCFRGKHQLY-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 64753449
3,5-dimethyl-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 79491996
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
2-[cyclopropylmethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751878
2-[[bis(3-methylbutyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
CID 107871197
2-[2-ethoxyethyl(ethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64751103
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
4-methyl-2-(2-methylpropyl)cyclopentan-1-ol
CID 67495132
2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64753453

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol (CID 79483325) is 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol is CCC(CC)N(CC(C)C)C1C(C)CC(C)CC1O.
What is the InChIKey of 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol?
The InChIKey is VRRPWCFRGKHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-15(8-2)18(11-12(3)4)17-14(6)9-13(5)10-16(17)19/h12-17,19H,7-11H2,1-6H3.
What are the key properties of 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol?
3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[2-methylpropyl(pentan-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79483325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).