2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol

C15H31NO — CID 165488090

IUPAC2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNCCC(CO)C1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-12(2)10-16-8-7-15(11-17)14-6-4-5-13(3)9-14/h12-17H,4-11H2,1-3H3
InChIKeyNJRSYGLYRGPMOG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.06
Rot. Bonds7

About 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol

2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol (PubChem CID 165488090) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol
PubChem CID165488090
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol
SMILESCC(C)CNCCC(CO)C1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-12(2)10-16-8-7-15(11-17)14-6-4-5-13(3)9-14/h12-17H,4-11H2,1-3H3
InChIKeyNJRSYGLYRGPMOG-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
2-(1,1-dioxothiolan-3-yl)-4-(2-methylpropylamino)butan-1-ol
CID 165476580
4-(3-methylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 62455906
2-cycloheptyl-4-(propylamino)butan-1-ol
CID 165467756
2-cyclohexyl-4-(2-methoxyethylamino)butan-1-ol
CID 165464562
3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine
CID 114197364
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
4-amino-3-(3-methylcyclohexyl)pentan-1-ol
CID 66090063
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol?
The IUPAC name of 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol (CID 165488090) is 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol.
What is the SMILES notation for 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol?
The canonical SMILES for 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol is CC(C)CNCCC(CO)C1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol?
The InChIKey is NJRSYGLYRGPMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)10-16-8-7-15(11-17)14-6-4-5-13(3)9-14/h12-17H,4-11H2,1-3H3.
What are the key properties of 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol?
2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol is sourced from PubChem (CID 165488090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).