3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol

C16H33NO — CID 165497893

IUPAC3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-6-7-14-8-9-15(18)10-16(14)17(13(4)5)11-12(2)3/h12-16,18H,6-11H2,1-5H3
InChIKeyDFVPDXLROXWVES-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.68
Rot. Bonds6

About 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol

3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol (PubChem CID 165497893) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol
PubChem CID165497893
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC(C)C)C(C)C
InChIInChI=1S/C16H33NO/c1-6-7-14-8-9-15(18)10-16(14)17(13(4)5)11-12(2)3/h12-16,18H,6-11H2,1-5H3
InChIKeyDFVPDXLROXWVES-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165497912
3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165492179
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
2-propylcyclohexane-1,4-diol
CID 89257932
2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 80999733
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
4-methoxy-3-propylcyclohexan-1-ol
CID 142147619
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol?
The IUPAC name of 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol (CID 165497893) is 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol?
The canonical SMILES for 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol is CCCC1CCC(O)CC1N(CC(C)C)C(C)C.
What is the InChIKey of 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol?
The InChIKey is DFVPDXLROXWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-14-8-9-15(18)10-16(14)17(13(4)5)11-12(2)3/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol?
3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 165497893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).