(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine

C12H25N3 — CID 135207982

IUPAC(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(=C\C=C(/C)\N(C)CCN(C)C)/N
InChIInChI=1S/C12H25N3/c1-6-12(13)8-7-11(2)15(5)10-9-14(3)4/h7-8H,6,9-10,13H2,1-5H3/b11-7+,12-8+
InChIKeyRRXCIFDDIIZNLC-MKICQXMISA-N
MW211.35 g/mol
LogP1.80
Rot. Bonds6

About (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine

(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine (PubChem CID 135207982) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine
PubChem CID135207982
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine
SMILESCC/C(=C\C=C(/C)\N(C)CCN(C)C)/N
InChIInChI=1S/C12H25N3/c1-6-12(13)8-7-11(2)15(5)10-9-14(3)4/h7-8H,6,9-10,13H2,1-5H3/b11-7+,12-8+
InChIKeyRRXCIFDDIIZNLC-MKICQXMISA-N
XLogP1.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity229

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine?
The IUPAC name of (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine (CID 135207982) is (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine.
What is the SMILES notation for (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine?
The canonical SMILES for (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine is CC/C(=C\C=C(/C)\N(C)CCN(C)C)/N.
What is the InChIKey of (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine?
The InChIKey is RRXCIFDDIIZNLC-MKICQXMISA-N. The full InChI is InChI=1S/C12H25N3/c1-6-12(13)8-7-11(2)15(5)10-9-14(3)4/h7-8H,6,9-10,13H2,1-5H3/b11-7+,12-8+.
What are the key properties of (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine?
(2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-N-[2-(dimethylamino)ethyl]-2-N-methylhepta-2,4-diene-2,5-diamine is sourced from PubChem (CID 135207982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).