12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine

C20H35N — CID 137457150

IUPAC12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine
SMILESC=C(CCC(=C)C(=C)CC(CC)CC)CCC(N)C(=C)C
InChIInChI=1S/C20H35N/c1-8-19(9-2)14-18(7)17(6)12-10-16(5)11-13-20(21)15(3)4/h19-20H,3,5-14,21H2,1-2,4H3
InChIKeyLYJUVMJSIFBGDY-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.95
Rot. Bonds12

About 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine

12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine (PubChem CID 137457150) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine.

Molecular Properties

Compound Name12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine
PubChem CID137457150
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine
SMILESC=C(CCC(=C)C(=C)CC(CC)CC)CCC(N)C(=C)C
InChIInChI=1S/C20H35N/c1-8-19(9-2)14-18(7)17(6)12-10-16(5)11-13-20(21)15(3)4/h19-20H,3,5-14,21H2,1-2,4H3
InChIKeyLYJUVMJSIFBGDY-UHFFFAOYSA-N
XLogP5.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.95
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

2,10-dimethyl-5-(3-methylbut-3-enyl)-7-methylideneundeca-1,10-diene;20-ethyl-12-(8-ethyl-3,6-dimethylidenedecyl)-2-methyl-5-(3-methylbut-3-enyl)-7,10,15,18-tetramethylidenedocos-1-ene
CID 162196667
2-methyl-5-methylphosphanylpent-1-en-3-amine
CID 174333077
3-ethyl-2-methyl-6-methylideneoct-1-ene
CID 144692638
5-ethyl-8-methylidenedecan-3-one
CID 161304636
14-ethyl-11-methylideneoctacosane
CID 142291477
methyl 4-ethyl-2-methylidenehexanoate
CID 126640126
3-ethylpentanethioamide
CID 82925647
6-methylhept-6-en-3-amine
CID 89243580
2,8-dimethyl-5-methylidenenonane
CID 545812
ethene;4-ethyl-2-methylhept-1-ene
CID 142412124
4,7-dimethylidenedecane
CID 543440
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850

Frequently Asked Questions

What is the IUPAC name of 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine?
The IUPAC name of 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine (CID 137457150) is 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine.
What is the SMILES notation for 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine?
The canonical SMILES for 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine is C=C(CCC(=C)C(=C)CC(CC)CC)CCC(N)C(=C)C.
What is the InChIKey of 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine?
The InChIKey is LYJUVMJSIFBGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-8-19(9-2)14-18(7)17(6)12-10-16(5)11-13-20(21)15(3)4/h19-20H,3,5-14,21H2,1-2,4H3.
What are the key properties of 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine?
12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine has a molecular weight of 289.51 g/mol, XLogP of 5.95, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-ethyl-2-methyl-6,9,10-trimethylidenetetradec-1-en-3-amine is sourced from PubChem (CID 137457150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).