(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine

C10H16N2 — CID 134333668

IUPAC(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
SMILESC=CCC(/N=C/C)=C(\C)C(=C)N
InChIInChI=1S/C10H16N2/c1-5-7-10(12-6-2)8(3)9(4)11/h5-6H,1,4,7,11H2,2-3H3/b10-8-,12-6+
InChIKeyDQJYQKZIFAPVNW-YNJFZHJKSA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds4

About (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine

(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine (PubChem CID 134333668) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine.

Molecular Properties

Compound Name(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
PubChem CID134333668
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine
SMILESC=CCC(/N=C/C)=C(\C)C(=C)N
InChIInChI=1S/C10H16N2/c1-5-7-10(12-6-2)8(3)9(4)11/h5-6H,1,4,7,11H2,2-3H3/b10-8-,12-6+
InChIKeyDQJYQKZIFAPVNW-YNJFZHJKSA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine?
The IUPAC name of (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine (CID 134333668) is (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine.
What is the SMILES notation for (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine?
The canonical SMILES for (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine is C=CCC(/N=C/C)=C(\C)C(=C)N.
What is the InChIKey of (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine?
The InChIKey is DQJYQKZIFAPVNW-YNJFZHJKSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-10(12-6-2)8(3)9(4)11/h5-6H,1,4,7,11H2,2-3H3/b10-8-,12-6+.
What are the key properties of (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine?
(3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine has a molecular weight of 164.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(ethylideneamino)-3-methylhepta-1,3,6-trien-2-amine is sourced from PubChem (CID 134333668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).