N,4-dimethylpenta-1,2,4-trien-3-amine

C7H11N — CID 130394539

IUPACN,4-dimethylpenta-1,2,4-trien-3-amine
SMILESC=C=C(NC)C(=C)C
InChIInChI=1S/C7H11N/c1-5-7(8-4)6(2)3/h8H,1-2H2,3-4H3
InChIKeyLQFOFSMLQLQWDY-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.45
Rot. Bonds2

About N,4-dimethylpenta-1,2,4-trien-3-amine

N,4-dimethylpenta-1,2,4-trien-3-amine (PubChem CID 130394539) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N,4-dimethylpenta-1,2,4-trien-3-amine.

Molecular Properties

Compound NameN,4-dimethylpenta-1,2,4-trien-3-amine
PubChem CID130394539
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN,4-dimethylpenta-1,2,4-trien-3-amine
SMILESC=C=C(NC)C(=C)C
InChIInChI=1S/C7H11N/c1-5-7(8-4)6(2)3/h8H,1-2H2,3-4H3
InChIKeyLQFOFSMLQLQWDY-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylpenta-1,2,4-trien-3-amine?
The IUPAC name of N,4-dimethylpenta-1,2,4-trien-3-amine (CID 130394539) is N,4-dimethylpenta-1,2,4-trien-3-amine.
What is the SMILES notation for N,4-dimethylpenta-1,2,4-trien-3-amine?
The canonical SMILES for N,4-dimethylpenta-1,2,4-trien-3-amine is C=C=C(NC)C(=C)C.
What is the InChIKey of N,4-dimethylpenta-1,2,4-trien-3-amine?
The InChIKey is LQFOFSMLQLQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-5-7(8-4)6(2)3/h8H,1-2H2,3-4H3.
What are the key properties of N,4-dimethylpenta-1,2,4-trien-3-amine?
N,4-dimethylpenta-1,2,4-trien-3-amine has a molecular weight of 109.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylpenta-1,2,4-trien-3-amine is sourced from PubChem (CID 130394539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).