(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine

C12H25N3 — CID 155299178

IUPAC(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine
SMILESCC/C=C(C)/C(N)=C\N(C)CCN(C)C
InChIInChI=1S/C12H25N3/c1-6-7-11(2)12(13)10-15(5)9-8-14(3)4/h7,10H,6,8-9,13H2,1-5H3/b11-7+,12-10+
InChIKeyYNKDDYYNRQJAQG-CRALUGIISA-N
MW211.35 g/mol
LogP1.64
Rot. Bonds6

About (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine

(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine (PubChem CID 155299178) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine
PubChem CID155299178
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine
SMILESCC/C=C(C)/C(N)=C\N(C)CCN(C)C
InChIInChI=1S/C12H25N3/c1-6-7-11(2)12(13)10-15(5)9-8-14(3)4/h7,10H,6,8-9,13H2,1-5H3/b11-7+,12-10+
InChIKeyYNKDDYYNRQJAQG-CRALUGIISA-N
XLogP1.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.64
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 (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine?
The IUPAC name of (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine (CID 155299178) is (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine.
What is the SMILES notation for (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine?
The canonical SMILES for (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine is CC/C=C(C)/C(N)=C\N(C)CCN(C)C.
What is the InChIKey of (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine?
The InChIKey is YNKDDYYNRQJAQG-CRALUGIISA-N. The full InChI is InChI=1S/C12H25N3/c1-6-7-11(2)12(13)10-15(5)9-8-14(3)4/h7,10H,6,8-9,13H2,1-5H3/b11-7+,12-10+.
What are the key properties of (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine?
(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 155299178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).