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

C16H31NO — CID 165492179

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC(C)C)C1CC1
InChIInChI=1S/C16H31NO/c1-4-5-13-6-9-15(18)10-16(13)17(11-12(2)3)14-7-8-14/h12-16,18H,4-11H2,1-3H3
InChIKeyVSDNLJNJQXXGND-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds6

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

3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol (PubChem CID 165492179) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
PubChem CID165492179
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)CC1N(CC(C)C)C1CC1
InChIInChI=1S/C16H31NO/c1-4-5-13-6-9-15(18)10-16(13)17(11-12(2)3)14-7-8-14/h12-16,18H,4-11H2,1-3H3
InChIKeyVSDNLJNJQXXGND-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol
CID 165497912
3-[2-methylpropyl(propan-2-yl)amino]-4-propylcyclohexan-1-ol
CID 165497893
3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
3-[cyclopropyl(propyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490869
2-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 80999541
2-propylcyclohexane-1,4-diol
CID 89257932
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
4-ethyl-3-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 165497433
3-[cyclopropyl(3-methylbutyl)amino]cyclohexan-1-ol
CID 79617786
4-tert-butyl-2-N-cyclopropyl-2-N-(2-methylpropyl)cyclohexane-1,2-diamine
CID 55002114
3-(azocan-1-yl)-4-propylcyclohexan-1-ol
CID 165499364

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol (CID 165492179) is 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol is CCCC1CCC(O)CC1N(CC(C)C)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
The InChIKey is VSDNLJNJQXXGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-13-6-9-15(18)10-16(13)17(11-12(2)3)14-7-8-14/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol?
3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 165492179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).