(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine

C11H20N2 — CID 155458854

IUPAC(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine
SMILESC/C=C(C)\C(=C/C=N/C)NCCC
InChIInChI=1S/C11H20N2/c1-5-8-13-11(7-9-12-4)10(3)6-2/h6-7,9,13H,5,8H2,1-4H3/b10-6-,11-7+,12-9+
InChIKeyCJHIAHCSCNKRQC-RNDBMSTGSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds5

About (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine

(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine (PubChem CID 155458854) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine
PubChem CID155458854
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine
SMILESC/C=C(C)\C(=C/C=N/C)NCCC
InChIInChI=1S/C11H20N2/c1-5-8-13-11(7-9-12-4)10(3)6-2/h6-7,9,13H,5,8H2,1-4H3/b10-6-,11-7+,12-9+
InChIKeyCJHIAHCSCNKRQC-RNDBMSTGSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
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 (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine (CID 155458854) is (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine is C/C=C(C)\C(=C/C=N/C)NCCC.
What is the InChIKey of (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine?
The InChIKey is CJHIAHCSCNKRQC-RNDBMSTGSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-8-13-11(7-9-12-4)10(3)6-2/h6-7,9,13H,5,8H2,1-4H3/b10-6-,11-7+,12-9+.
What are the key properties of (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine?
(2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-methyl-1-methylimino-N-propylhexa-2,4-dien-3-amine is sourced from PubChem (CID 155458854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).