(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine

C18H33N — CID 174352181

IUPAC(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine
SMILESC=C(C)CCCCC(/C=C(/N)CC(C)C)=C(\C)CC
InChIInChI=1S/C18H33N/c1-7-16(6)17(11-9-8-10-14(2)3)13-18(19)12-15(4)5/h13,15H,2,7-12,19H2,1,3-6H3/b17-16-,18-13+
InChIKeyQHAQTQICBVOHJE-GLQARNANSA-N
MW263.47 g/mol
LogP5.74
Rot. Bonds9

About (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine

(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine (PubChem CID 174352181) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine.

Molecular Properties

Compound Name(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine
PubChem CID174352181
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine
SMILESC=C(C)CCCCC(/C=C(/N)CC(C)C)=C(\C)CC
InChIInChI=1S/C18H33N/c1-7-16(6)17(11-9-8-10-14(2)3)13-18(19)12-15(4)5/h13,15H,2,7-12,19H2,1,3-6H3/b17-16-,18-13+
InChIKeyQHAQTQICBVOHJE-GLQARNANSA-N
XLogP5.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,7-dimethylnon-1-ene
CID 123682074
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
6-butan-2-ylidene-3-ethyl-8,12-dimethyltrideca-1,7-diene
CID 123223648
(6E,7E)-6-(2,2-dimethylpentan-3-ylidene)-2,8,9,9-tetramethyldeca-1,7-diene
CID 166123890
ethane;2-methylhept-1-ene
CID 143682307
2-methyltetradec-1-ene
CID 521375
2,4-dimethylpent-1-ene;ethane
CID 143336990
2-methylhex-1-ene
CID 158402499
ethane;2-methyloct-1-ene
CID 143077596
ethane;bis(3-methylpentane);2-methylpropane;2-methylundec-1-ene
CID 143703494

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine?
The IUPAC name of (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine (CID 174352181) is (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine.
What is the SMILES notation for (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine?
The canonical SMILES for (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine is C=C(C)CCCCC(/C=C(/N)CC(C)C)=C(\C)CC.
What is the InChIKey of (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine?
The InChIKey is QHAQTQICBVOHJE-GLQARNANSA-N. The full InChI is InChI=1S/C18H33N/c1-7-16(6)17(11-9-8-10-14(2)3)13-18(19)12-15(4)5/h13,15H,2,7-12,19H2,1,3-6H3/b17-16-,18-13+.
What are the key properties of (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine?
(4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine has a molecular weight of 263.47 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-6-butan-2-ylidene-2,11-dimethyldodeca-4,11-dien-4-amine is sourced from PubChem (CID 174352181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).