(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine

C10H19N3 — CID 166773733

IUPAC(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine
SMILESC=CN(N)C(/C=C\C)=C(\N)C(C)C
InChIInChI=1S/C10H19N3/c1-5-7-9(13(12)6-2)10(11)8(3)4/h5-8H,2,11-12H2,1,3-4H3/b7-5-,10-9-
InChIKeyBGZQTLCOMSFZEU-XGOROQTFSA-N
MW181.28 g/mol
LogP1.71
Rot. Bonds4

About (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine

(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine (PubChem CID 166773733) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine
PubChem CID166773733
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine
SMILESC=CN(N)C(/C=C\C)=C(\N)C(C)C
InChIInChI=1S/C10H19N3/c1-5-7-9(13(12)6-2)10(11)8(3)4/h5-8H,2,11-12H2,1,3-4H3/b7-5-,10-9-
InChIKeyBGZQTLCOMSFZEU-XGOROQTFSA-N
XLogP1.71
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.71
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 (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine?
The IUPAC name of (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine (CID 166773733) is (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine?
The canonical SMILES for (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine is C=CN(N)C(/C=C\C)=C(\N)C(C)C.
What is the InChIKey of (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine?
The InChIKey is BGZQTLCOMSFZEU-XGOROQTFSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-7-9(13(12)6-2)10(11)8(3)4/h5-8H,2,11-12H2,1,3-4H3/b7-5-,10-9-.
What are the key properties of (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine?
(3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-[amino(ethenyl)amino]-2-methylhepta-3,5-dien-3-amine is sourced from PubChem (CID 166773733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).