2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine

C17H31N — CID 130426171

IUPAC2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine
SMILESC=CC(=C)CCC(CC)(CN)CCC(=C)C(C)C
InChIInChI=1S/C17H31N/c1-7-15(5)9-11-17(8-2,13-18)12-10-16(6)14(3)4/h7,14H,1,5-6,8-13,18H2,2-4H3
InChIKeyJOOYDWBIMZASFL-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.86
Rot. Bonds10

About 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine

2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine (PubChem CID 130426171) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine.

Molecular Properties

Compound Name2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine
PubChem CID130426171
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine
SMILESC=CC(=C)CCC(CC)(CN)CCC(=C)C(C)C
InChIInChI=1S/C17H31N/c1-7-15(5)9-11-17(8-2,13-18)12-10-16(6)14(3)4/h7,14H,1,5-6,8-13,18H2,2-4H3
InChIKeyJOOYDWBIMZASFL-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
2-methyl-5-methylidenehept-6-en-2-amine
CID 126489894
6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine
CID 145055784
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
2,6-dimethyl-5-methylideneheptan-2-ol
CID 170201148
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
CID 126670461
2,6,6-trimethyl-3-methylideneundecane
CID 123351712
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
2-butyl-2-ethylhexan-1-amine
CID 62725100
ethane;(Z)-3-ethyl-7-methyl-6-methylideneoct-2-ene;prop-1-ene
CID 178040036
8-methyl-7-methylidenenonan-1-amine
CID 174252779
7-methyl-6-methylideneoctan-1-amine
CID 129099714

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine?
The IUPAC name of 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine (CID 130426171) is 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine.
What is the SMILES notation for 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine?
The canonical SMILES for 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine is C=CC(=C)CCC(CC)(CN)CCC(=C)C(C)C.
What is the InChIKey of 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine?
The InChIKey is JOOYDWBIMZASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-7-15(5)9-11-17(8-2,13-18)12-10-16(6)14(3)4/h7,14H,1,5-6,8-13,18H2,2-4H3.
What are the key properties of 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine?
2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylidene-2-(4-methyl-3-methylidenepentyl)hept-6-en-1-amine is sourced from PubChem (CID 130426171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).