(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine

C9H14N2 — CID 134286364

IUPAC(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
SMILESC=C/C(=C/N=C)N(C)/C=C\C
InChIInChI=1S/C9H14N2/c1-5-7-11(4)9(6-2)8-10-3/h5-8H,2-3H2,1,4H3/b7-5-,9-8-
InChIKeyHIEYATYIIOEHGU-PJHABFGRSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds4

About (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine

(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine (PubChem CID 134286364) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
PubChem CID134286364
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
SMILESC=C/C(=C/N=C)N(C)/C=C\C
InChIInChI=1S/C9H14N2/c1-5-7-11(4)9(6-2)8-10-3/h5-8H,2-3H2,1,4H3/b7-5-,9-8-
InChIKeyHIEYATYIIOEHGU-PJHABFGRSA-N
XLogP2.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
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)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The IUPAC name of (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine (CID 134286364) is (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine.
What is the SMILES notation for (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The canonical SMILES for (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine is C=C/C(=C/N=C)N(C)/C=C\C.
What is the InChIKey of (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
The InChIKey is HIEYATYIIOEHGU-PJHABFGRSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-7-11(4)9(6-2)8-10-3/h5-8H,2-3H2,1,4H3/b7-5-,9-8-.
What are the key properties of (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine?
(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine has a molecular weight of 150.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine is sourced from PubChem (CID 134286364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).