(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine

C10H16N2 — CID 130246979

IUPAC(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine
SMILESC=C/C=C(\N=C\C=C)C(C)CN
InChIInChI=1S/C10H16N2/c1-4-6-10(9(3)8-11)12-7-5-2/h4-7,9H,1-2,8,11H2,3H3/b10-6-,12-7+
InChIKeyXYQVXNPOKDKKFH-KMJJTFSOSA-N
MW164.25 g/mol
LogP1.91
Rot. Bonds5

About (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine

(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine (PubChem CID 130246979) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine
PubChem CID130246979
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine
SMILESC=C/C=C(\N=C\C=C)C(C)CN
InChIInChI=1S/C10H16N2/c1-4-6-10(9(3)8-11)12-7-5-2/h4-7,9H,1-2,8,11H2,3H3/b10-6-,12-7+
InChIKeyXYQVXNPOKDKKFH-KMJJTFSOSA-N
XLogP1.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine (CID 130246979) is (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine is C=C/C=C(\N=C\C=C)C(C)CN.
What is the InChIKey of (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine?
The InChIKey is XYQVXNPOKDKKFH-KMJJTFSOSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-10(9(3)8-11)12-7-5-2/h4-7,9H,1-2,8,11H2,3H3/b10-6-,12-7+.
What are the key properties of (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine?
(3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-3-(prop-2-enylideneamino)hexa-3,5-dien-1-amine is sourced from PubChem (CID 130246979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).