(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine

C9H16N2 — CID 134177488

IUPAC(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC/N=C/C(C)=C/C=C\N(C)C
InChIInChI=1S/C9H16N2/c1-9(8-10-2)6-5-7-11(3)4/h5-8H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyDWKWDWFATYDSOP-BZDCPZFQSA-N
MW152.24 g/mol
LogP1.71
Rot. Bonds3

About (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine

(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine (PubChem CID 134177488) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine
PubChem CID134177488
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine
SMILESC/N=C/C(C)=C/C=C\N(C)C
InChIInChI=1S/C9H16N2/c1-9(8-10-2)6-5-7-11(3)4/h5-8H,1-4H3/b7-5-,9-6+,10-8+
InChIKeyDWKWDWFATYDSOP-BZDCPZFQSA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine (CID 134177488) is (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine is C/N=C/C(C)=C/C=C\N(C)C.
What is the InChIKey of (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine?
The InChIKey is DWKWDWFATYDSOP-BZDCPZFQSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(8-10-2)6-5-7-11(3)4/h5-8H,1-4H3/b7-5-,9-6+,10-8+.
What are the key properties of (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine?
(1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,N,4-trimethyl-5-methyliminopenta-1,3-dien-1-amine is sourced from PubChem (CID 134177488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).