(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine

C18H36N2 — CID 145193386

IUPAC(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine
SMILESC=C.C=C(C)/C(C)=C(\C)N.CC.[H]/N=C(\C=C)C(C)CC
InChIInChI=1S/2C7H13N.C2H6.C2H4/c1-5(2)6(3)7(4)8;1-4-6(3)7(8)5-2;2*1-2/h1,8H2,2-4H3;5-6,8H,2,4H2,1,3H3;1-2H3;1-2H2/b7-6+;8-7+;;
InChIKeySAINQIYHULTXBN-JFPORXJESA-N
MW280.50 g/mol
LogP5.88
Rot. Bonds4

About (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine

(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine (PubChem CID 145193386) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine.

Molecular Properties

Compound Name(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine
PubChem CID145193386
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine
SMILESC=C.C=C(C)/C(C)=C(\C)N.CC.[H]/N=C(\C=C)C(C)CC
InChIInChI=1S/2C7H13N.C2H6.C2H4/c1-5(2)6(3)7(4)8;1-4-6(3)7(8)5-2;2*1-2/h1,8H2,2-4H3;5-6,8H,2,4H2,1,3H3;1-2H3;1-2H2/b7-6+;8-7+;;
InChIKeySAINQIYHULTXBN-JFPORXJESA-N
XLogP5.88
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine?
The IUPAC name of (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine (CID 145193386) is (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine.
What is the SMILES notation for (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine?
The canonical SMILES for (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine is C=C.C=C(C)/C(C)=C(\C)N.CC.[H]/N=C(\C=C)C(C)CC.
What is the InChIKey of (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine?
The InChIKey is SAINQIYHULTXBN-JFPORXJESA-N. The full InChI is InChI=1S/2C7H13N.C2H6.C2H4/c1-5(2)6(3)7(4)8;1-4-6(3)7(8)5-2;2*1-2/h1,8H2,2-4H3;5-6,8H,2,4H2,1,3H3;1-2H3;1-2H2/b7-6+;8-7+;;.
What are the key properties of (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine?
(2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine has a molecular weight of 280.50 g/mol, XLogP of 5.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,4-dimethylpenta-2,4-dien-2-amine;ethane;ethene;4-methylhex-1-en-3-imine is sourced from PubChem (CID 145193386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).