N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine

C17H33N — CID 81029297

IUPACN-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESC=CCCC1CC(CC)CCC1CNCC(C)C
InChIInChI=1S/C17H33N/c1-5-7-8-16-11-15(6-2)9-10-17(16)13-18-12-14(3)4/h5,14-18H,1,6-13H2,2-4H3
InChIKeyHGWYBEXMBQOFHT-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.64
Rot. Bonds8

About N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine

N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine (PubChem CID 81029297) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
PubChem CID81029297
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESC=CCCC1CC(CC)CCC1CNCC(C)C
InChIInChI=1S/C17H33N/c1-5-7-8-16-11-15(6-2)9-10-17(16)13-18-12-14(3)4/h5,14-18H,1,6-13H2,2-4H3
InChIKeyHGWYBEXMBQOFHT-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114477759
2-methyl-N-[[2-(propan-2-yloxymethyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 81029546
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034192
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine (CID 81029297) is N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine is C=CCCC1CC(CC)CCC1CNCC(C)C.
What is the InChIKey of N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine?
The InChIKey is HGWYBEXMBQOFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-5-7-8-16-11-15(6-2)9-10-17(16)13-18-12-14(3)4/h5,14-18H,1,6-13H2,2-4H3.
What are the key properties of N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine?
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81029297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).