2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol

C15H31NO — CID 113345559

IUPAC2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-7-13(3)9-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyZCFILWTZOSDZQH-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds7

About 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol

2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol (PubChem CID 113345559) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
PubChem CID113345559
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC1CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-7-13(3)9-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyZCFILWTZOSDZQH-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclohexyl)-N-[(2-methylcyclopropyl)methyl]methanamine
CID 115881198
4-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 106840660
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-1-ol
CID 115881256
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
2-bromo-N-[(3-methylcyclohexyl)methyl]prop-2-en-1-amine
CID 115881224
1-(3-methylcyclohexyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103883987
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-2-ethylbutan-1-ol
CID 81418915

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol (CID 113345559) is 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol is CCC(CC)(CO)CNCC1CCCC(C)C1.
What is the InChIKey of 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol?
The InChIKey is ZCFILWTZOSDZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-15(5-2,12-17)11-16-10-14-8-6-7-13(3)9-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol?
2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methylcyclohexyl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 113345559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).