(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

C7H12N2 — CID 142933164

IUPAC(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(N)=C(C)\C=C/C
InChIInChI=1S/C7H12N2/c1-4-5-6(2)7(8)9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-
InChIKeyDMKQVVAVNWYTCN-RZSVFLSASA-N
MW124.19 g/mol
LogP1.45
Rot. Bonds2

About (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine

(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (PubChem CID 142933164) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
PubChem CID142933164
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
SMILESC=N/C(N)=C(C)\C=C/C
InChIInChI=1S/C7H12N2/c1-4-5-6(2)7(8)9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-
InChIKeyDMKQVVAVNWYTCN-RZSVFLSASA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.45
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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Related Compounds

N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
(E)-N'-aminobut-2-enimidamide
CID 142083872
(2Z,4E)-7-methylocta-2,4,7-trien-4-amine
CID 89010551
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine (CID 142933164) is (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is C=N/C(N)=C(C)\C=C/C.
What is the InChIKey of (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
The InChIKey is DMKQVVAVNWYTCN-RZSVFLSASA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-6(2)7(8)9-3/h4-5H,3,8H2,1-2H3/b5-4-,7-6-.
What are the key properties of (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine?
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine is sourced from PubChem (CID 142933164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).