N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C18H35N — CID 114477759

IUPACN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CCC1CC(CC)CCC1CNCC(C)C
InChIInChI=1S/C18H35N/c1-6-16-8-10-18(13-19-12-15(4)5)17(11-16)9-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3
InChIKeyAOIPIFWASLSTGA-UHFFFAOYSA-N
MW265.49 g/mol
LogP5.03
Rot. Bonds8

About N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 114477759) has the molecular formula C18H35N and a molecular weight of 265.49 g/mol. Its IUPAC name is N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID114477759
Molecular FormulaC18H35N
Molecular Weight265.49 g/mol
Exact Mass265.28
IUPAC NameN-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CCC1CC(CC)CCC1CNCC(C)C
InChIInChI=1S/C18H35N/c1-6-16-8-10-18(13-19-12-15(4)5)17(11-16)9-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3
InChIKeyAOIPIFWASLSTGA-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.49
LogP ≤ 55.03
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-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219
N-[(2-but-3-enyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029297
N-[[2-(3-methylbut-3-enyl)-4-propylcyclohexyl]methyl]propan-1-amine
CID 114477761
2-methyl-N-[[2-(2-methylprop-2-enyl)cyclobutyl]methyl]propan-1-amine
CID 81021977
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 114477759) is N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine is C=C(C)CCC1CC(CC)CCC1CNCC(C)C.
What is the InChIKey of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is AOIPIFWASLSTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-6-16-8-10-18(13-19-12-15(4)5)17(11-16)9-7-14(2)3/h15-19H,2,6-13H2,1,3-5H3.
What are the key properties of N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.49 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114477759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).