(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine

C9H15N3 — CID 176922641

IUPAC(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine
SMILESC=CC(/C=C(/C=N/C)NC)=N\C
InChIInChI=1S/C9H15N3/c1-5-8(11-3)6-9(12-4)7-10-2/h5-7,12H,1H2,2-4H3/b9-6-,10-7+,11-8+
InChIKeyRCTUQRSNQPCYOC-BCPVTWBXSA-N
MW165.24 g/mol
LogP1.05
Rot. Bonds4

About (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine

(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine (PubChem CID 176922641) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine
PubChem CID176922641
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine
SMILESC=CC(/C=C(/C=N/C)NC)=N\C
InChIInChI=1S/C9H15N3/c1-5-8(11-3)6-9(12-4)7-10-2/h5-7,12H,1H2,2-4H3/b9-6-,10-7+,11-8+
InChIKeyRCTUQRSNQPCYOC-BCPVTWBXSA-N
XLogP1.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine?
The IUPAC name of (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine (CID 176922641) is (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine.
What is the SMILES notation for (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine?
The canonical SMILES for (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine is C=CC(/C=C(/C=N/C)NC)=N\C.
What is the InChIKey of (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine?
The InChIKey is RCTUQRSNQPCYOC-BCPVTWBXSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-8(11-3)6-9(12-4)7-10-2/h5-7,12H,1H2,2-4H3/b9-6-,10-7+,11-8+.
What are the key properties of (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine?
(2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine has a molecular weight of 165.24 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-1,4-bis(methylimino)hexa-2,5-dien-2-amine is sourced from PubChem (CID 176922641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).