(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine

C12H21N3 — CID 134292983

IUPAC(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine
SMILESC=CN(N)C(/C=C(/C=C\C)CC)=C/NC
InChIInChI=1S/C12H21N3/c1-5-8-11(6-2)9-12(10-14-4)15(13)7-3/h5,7-10,14H,3,6,13H2,1-2,4H3/b8-5-,11-9+,12-10+
InChIKeyKQVIMLCRNOVSGZ-AMVUOHPKSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds6

About (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine

(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine (PubChem CID 134292983) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine
PubChem CID134292983
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine
SMILESC=CN(N)C(/C=C(/C=C\C)CC)=C/NC
InChIInChI=1S/C12H21N3/c1-5-8-11(6-2)9-12(10-14-4)15(13)7-3/h5,7-10,14H,3,6,13H2,1-2,4H3/b8-5-,11-9+,12-10+
InChIKeyKQVIMLCRNOVSGZ-AMVUOHPKSA-N
XLogP2.28
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine (CID 134292983) is (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine is C=CN(N)C(/C=C(/C=C\C)CC)=C/NC.
What is the InChIKey of (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine?
The InChIKey is KQVIMLCRNOVSGZ-AMVUOHPKSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-8-11(6-2)9-12(10-14-4)15(13)7-3/h5,7-10,14H,3,6,13H2,1-2,4H3/b8-5-,11-9+,12-10+.
What are the key properties of (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine?
(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 134292983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).