N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine

C6H10N2 — CID 123159198

IUPACN-methyl-N-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)N=C
InChIInChI=1S/C6H10N2/c1-5-6(2)8(4)7-3/h5H,1-3H2,4H3
InChIKeyDXIJQJWYIKQJME-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.23
Rot. Bonds3

About N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine

N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine (PubChem CID 123159198) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-methyl-N-(methylideneamino)buta-1,3-dien-2-amine
PubChem CID123159198
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-N-(methylideneamino)buta-1,3-dien-2-amine
SMILESC=CC(=C)N(C)N=C
InChIInChI=1S/C6H10N2/c1-5-6(2)8(4)7-3/h5H,1-3H2,4H3
InChIKeyDXIJQJWYIKQJME-UHFFFAOYSA-N
XLogP1.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine?
The IUPAC name of N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine (CID 123159198) is N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine.
What is the SMILES notation for N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine?
The canonical SMILES for N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine is C=CC(=C)N(C)N=C.
What is the InChIKey of N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine?
The InChIKey is DXIJQJWYIKQJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-6(2)8(4)7-3/h5H,1-3H2,4H3.
What are the key properties of N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine?
N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine has a molecular weight of 110.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylideneamino)buta-1,3-dien-2-amine is sourced from PubChem (CID 123159198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).