2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol

C14H29NO2 — CID 114197400

IUPAC2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol
SMILESCNC(C)(CO)CCOCC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-12-5-4-6-13(9-12)10-17-8-7-14(2,11-16)15-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyMFXXSDDEMNPXHF-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol

2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol (PubChem CID 114197400) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol
PubChem CID114197400
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol
SMILESCNC(C)(CO)CCOCC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-12-5-4-6-13(9-12)10-17-8-7-14(2,11-16)15-3/h12-13,15-16H,4-11H2,1-3H3
InChIKeyMFXXSDDEMNPXHF-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
2-methyl-2-(methylamino)-4-(oxolan-3-ylmethoxy)butan-1-ol
CID 64810389
2-methyl-2-(methylamino)-5-[(3-methylcyclohexyl)methoxy]pentanenitrile
CID 114197267
ethyl 2-amino-2-methyl-4-[(3-methylcyclohexyl)methoxy]butanoate
CID 114197284
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
2-cyclopropyl-2-(methylamino)-3-[(3-methylcyclohexyl)methoxy]propanamide
CID 114197296
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
methyl 2-(ethylamino)-2-methyl-3-[(3-methylcyclohexyl)methoxy]propanoate
CID 114197281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol (CID 114197400) is 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol is CNC(C)(CO)CCOCC1CCCC(C)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol?
The InChIKey is MFXXSDDEMNPXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12-5-4-6-13(9-12)10-17-8-7-14(2,11-16)15-3/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol?
2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[(3-methylcyclohexyl)methoxy]butan-1-ol is sourced from PubChem (CID 114197400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).