3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol

C14H27NO — CID 165498249

IUPAC3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CCCC1CC1
InChIInChI=1S/C14H27NO/c1-11-5-8-13(16)10-14(11)15(2)9-3-4-12-6-7-12/h11-14,16H,3-10H2,1-2H3
InChIKeyULOSYGDITRJMDN-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds5

About 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol

3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol (PubChem CID 165498249) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol
PubChem CID165498249
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)CC1N(C)CCCC1CC1
InChIInChI=1S/C14H27NO/c1-11-5-8-13(16)10-14(11)15(2)9-3-4-12-6-7-12/h11-14,16H,3-10H2,1-2H3
InChIKeyULOSYGDITRJMDN-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methoxypropyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165498234
4-methyl-3-[methyl(2-methylpropyl)amino]cyclohexan-1-ol
CID 165490848
3-[butyl(methyl)amino]-4-ethylcyclohexan-1-ol
CID 165497432
4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
CID 89249305
3-[2-(dimethylamino)ethyl]cyclopentan-1-ol
CID 130149238
3-[cyclopentyl(methyl)amino]-4-methylcyclohexan-1-ol
CID 165497269
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
tert-butyl N-[2-[butyl(methyl)amino]-4-hydroxycyclohexyl]carbamate
CID 165491681
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
3-[2-ethoxyethyl(ethyl)amino]-4-methylcyclohexan-1-ol
CID 165498158
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The IUPAC name of 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol (CID 165498249) is 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The canonical SMILES for 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol is CC1CCC(O)CC1N(C)CCCC1CC1.
What is the InChIKey of 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol?
The InChIKey is ULOSYGDITRJMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-8-13(16)10-14(11)15(2)9-3-4-12-6-7-12/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol?
3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropylpropyl(methyl)amino]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 165498249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).