3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine

C23H45N — CID 146647512

IUPAC3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine
SMILESC=C(NCCC(CC)CCCCC(C)C)C1CC(C)(C)CC1(C)C
InChIInChI=1S/C23H45N/c1-9-20(13-11-10-12-18(2)3)14-15-24-19(4)21-16-22(5,6)17-23(21,7)8/h18,20-21,24H,4,9-17H2,1-3,5-8H3
InChIKeyGOBIQFUXPDGZQT-UHFFFAOYSA-N
MW335.62 g/mol
LogP7.18
Rot. Bonds11

About 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine

3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine (PubChem CID 146647512) has the molecular formula C23H45N and a molecular weight of 335.62 g/mol. Its IUPAC name is 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine.

Molecular Properties

Compound Name3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine
PubChem CID146647512
Molecular FormulaC23H45N
Molecular Weight335.62 g/mol
Exact Mass335.36
IUPAC Name3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine
SMILESC=C(NCCC(CC)CCCCC(C)C)C1CC(C)(C)CC1(C)C
InChIInChI=1S/C23H45N/c1-9-20(13-11-10-12-18(2)3)14-15-24-19(4)21-16-22(5,6)17-23(21,7)8/h18,20-21,24H,4,9-17H2,1-3,5-8H3
InChIKeyGOBIQFUXPDGZQT-UHFFFAOYSA-N
XLogP7.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.62
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine with MolForge

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Related Compounds

10-ethyl-2-methyltridecane
CID 173195663
3-ethyl-6-(methylamino)hexan-1-ol
CID 142846754
4-ethyl-N-methylnonan-1-amine
CID 174361476
5-ethyl-2-methylnon-1-ene
CID 23205953
N-(3,3-dimethylbut-1-en-2-yl)-8-methylnonan-1-amine
CID 166800769
5,8-diethyl-9-N,9-N-dimethyl-1-N-prop-1-en-2-yldecane-1,9-diamine
CID 170194106
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
3,3,5-trimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83157507
decane;ethene;hexane;2-methylheptane;2-methylprop-1-ene;nonane
CID 172567112
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine?
The IUPAC name of 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine (CID 146647512) is 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine.
What is the SMILES notation for 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine?
The canonical SMILES for 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine is C=C(NCCC(CC)CCCCC(C)C)C1CC(C)(C)CC1(C)C.
What is the InChIKey of 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine?
The InChIKey is GOBIQFUXPDGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N/c1-9-20(13-11-10-12-18(2)3)14-15-24-19(4)21-16-22(5,6)17-23(21,7)8/h18,20-21,24H,4,9-17H2,1-3,5-8H3.
What are the key properties of 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine?
3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine has a molecular weight of 335.62 g/mol, XLogP of 7.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-methyl-N-[1-(2,2,4,4-tetramethylcyclopentyl)ethenyl]nonan-1-amine is sourced from PubChem (CID 146647512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).