3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine

C16H33NO — CID 114197364

IUPAC3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)OCC1CCCC(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)8-9-17-11-15(4)18-12-16-7-5-6-14(3)10-16/h13-17H,5-12H2,1-4H3
InChIKeyMISSTBVYKNWCGI-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine

3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine (PubChem CID 114197364) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine
PubChem CID114197364
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)OCC1CCCC(C)C1
InChIInChI=1S/C16H33NO/c1-13(2)8-9-17-11-15(4)18-12-16-7-5-6-14(3)10-16/h13-17H,5-12H2,1-4H3
InChIKeyMISSTBVYKNWCGI-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
N-(2-cyclobutyloxypropyl)-3-methylbutan-1-amine
CID 62583080
3-(cyclohexylmethoxy)-N-ethylbutan-1-amine
CID 114999307
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-(cycloheptylmethoxy)-N-methylpropan-1-amine
CID 165349469
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
2-(3-methylcyclohexyl)-4-(2-methylpropylamino)butan-1-ol
CID 165488090
(3S)-1-(methoxymethyl)-3-methylcyclohexane
CID 142198036
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
CID 62582719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine (CID 114197364) is 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine is CC(C)CCNCC(C)OCC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine?
The InChIKey is MISSTBVYKNWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)8-9-17-11-15(4)18-12-16-7-5-6-14(3)10-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine?
3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine is sourced from PubChem (CID 114197364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).