(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine

C12H26N2 — CID 155721820

IUPAC(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine
SMILESCC/C=C\C=C(/C)N(C)C.CN(C)C
InChIInChI=1S/C9H17N.C3H9N/c1-5-6-7-8-9(2)10(3)4;1-4(2)3/h6-8H,5H2,1-4H3;1-3H3/b7-6-,9-8+;
InChIKeyIUJFOFRQJMXUIN-FTOWGUJXSA-N
MW198.35 g/mol
LogP2.60
Rot. Bonds3

About (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine

(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine (PubChem CID 155721820) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine.

Molecular Properties

Compound Name(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine
PubChem CID155721820
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine
SMILESCC/C=C\C=C(/C)N(C)C.CN(C)C
InChIInChI=1S/C9H17N.C3H9N/c1-5-6-7-8-9(2)10(3)4;1-4(2)3/h6-8H,5H2,1-4H3;1-3H3/b7-6-,9-8+;
InChIKeyIUJFOFRQJMXUIN-FTOWGUJXSA-N
XLogP2.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine?
The IUPAC name of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine (CID 155721820) is (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine.
What is the SMILES notation for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine?
The canonical SMILES for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine is CC/C=C\C=C(/C)N(C)C.CN(C)C.
What is the InChIKey of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine?
The InChIKey is IUJFOFRQJMXUIN-FTOWGUJXSA-N. The full InChI is InChI=1S/C9H17N.C3H9N/c1-5-6-7-8-9(2)10(3)4;1-4(2)3/h6-8H,5H2,1-4H3;1-3H3/b7-6-,9-8+;.
What are the key properties of (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine?
(2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N,N-dimethylhepta-2,4-dien-2-amine;N,N-dimethylmethanamine is sourced from PubChem (CID 155721820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).