2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine

C16H33N — CID 114200146

IUPAC2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
SMILESCC(C)CC(C)CNCCC1CCCC(C)C1
InChIInChI=1S/C16H33N/c1-13(2)10-15(4)12-17-9-8-16-7-5-6-14(3)11-16/h13-17H,5-12H2,1-4H3
InChIKeyMRTYDXLLTJXSOZ-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds7

About 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine

2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine (PubChem CID 114200146) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
PubChem CID114200146
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
SMILESCC(C)CC(C)CNCCC1CCCC(C)C1
InChIInChI=1S/C16H33N/c1-13(2)10-15(4)12-17-9-8-16-7-5-6-14(3)11-16/h13-17H,5-12H2,1-4H3
InChIKeyMRTYDXLLTJXSOZ-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[2-(3-methylcyclohexyl)ethylamino]propan-2-ol
CID 106932149
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
(2R)-4-methyl-2-[2-(3-methylcyclohexyl)ethylcarbamoylamino]pentanoic acid
CID 78965782
1-(4-hydroxy-2-methylpentyl)-3-[2-(3-methylcyclohexyl)ethyl]urea
CID 111455561
1,1-difluoro-N-[2-(3-methylcyclohexyl)ethyl]propan-2-amine
CID 102869604
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]but-2-en-1-amine
CID 107899966
3-methyl-N-[2-[(3-methylcyclohexyl)methoxy]propyl]butan-1-amine
CID 114197364
3-[2-(3-methylcyclohexyl)ethylamino]-2-phenylpropanenitrile
CID 64536641
1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
CID 83962626
(2R)-2-amino-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 78966012

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine?
The IUPAC name of 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine (CID 114200146) is 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine is CC(C)CC(C)CNCCC1CCCC(C)C1.
What is the InChIKey of 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine?
The InChIKey is MRTYDXLLTJXSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(2)10-15(4)12-17-9-8-16-7-5-6-14(3)11-16/h13-17H,5-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine?
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine is sourced from PubChem (CID 114200146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).