3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine

C16H33N — CID 114201373

IUPAC3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(CC(C)CC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-17-16-9-7-6-8-15(12-16)11-14(4)10-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyYESZKFOMKQTCHP-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds6

About 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine

3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine (PubChem CID 114201373) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine
PubChem CID114201373
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(CC(C)CC(C)C)C1
InChIInChI=1S/C16H33N/c1-5-17-16-9-7-6-8-15(12-16)11-14(4)10-13(2)3/h13-17H,5-12H2,1-4H3
InChIKeyYESZKFOMKQTCHP-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
N-ethyl-3-(2-ethylbutyl)cyclohexan-1-amine
CID 82923683
1-(2,4-dimethylpentyl)-3-propan-2-ylcyclohexane;ethane
CID 142462854
3-(2-methylpropyl)-N-pentylcyclohexan-1-amine
CID 107427844
N-[(4-ethylcyclohexyl)methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428318
N-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428837
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
ethane;N-ethylcyclohexanamine
CID 144865505
N-ethylcyclopentanamine;methanol
CID 161343027

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine (CID 114201373) is 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCC(CC(C)CC(C)C)C1.
What is the InChIKey of 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine?
The InChIKey is YESZKFOMKQTCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-17-16-9-7-6-8-15(12-16)11-14(4)10-13(2)3/h13-17H,5-12H2,1-4H3.
What are the key properties of 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine?
3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpentyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 114201373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).