(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine

C7H12N2 — CID 142082739

IUPAC(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN
InChIInChI=1S/C7H12N2/c1-6(2)4-7(5-8)9-3/h4H,1,3,5,8H2,2H3/b7-4-
InChIKeySYOGUIPMQUELOX-DAXSKMNVSA-N
MW124.19 g/mol
LogP1.11
Rot. Bonds3

About (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine

(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine (PubChem CID 142082739) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
PubChem CID142082739
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine
SMILESC=N/C(=C\C(=C)C)CN
InChIInChI=1S/C7H12N2/c1-6(2)4-7(5-8)9-3/h4H,1,3,5,8H2,2H3/b7-4-
InChIKeySYOGUIPMQUELOX-DAXSKMNVSA-N
XLogP1.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.11
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

(2Z)-2-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 145224791
(2E)-3-fluoro-4,5-dimethylidene-2-(methylideneamino)hepta-2,6-dien-1-amine
CID 153350435
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
(3Z)-4-methylhexa-3,5-diene-1,5-diamine
CID 89159357
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
3-N-ethylidene-4-methylpenta-2,4-diene-1,3-diimine
CID 123814073
(2Z,4E)-3-methyl-5-(methylideneamino)penta-2,4-diene-1,4-diamine
CID 129194053
(5-Propan-2-yl-1-azacyclohepta-2,4,6,7-tetraen-2-yl)methanamine
CID 132120706
(Z,2E)-2-[(methylideneamino)methylidene]pent-3-en-1-amine
CID 134185850
3-Methyl-1-azacyclohepta-2,4,6,7-tetraen-4-amine
CID 135303675
(3E,5E)-N,5-dimethyl-3-(methylideneamino)hepta-1,3,5-trien-2-amine
CID 137457994

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine (CID 142082739) is (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine is C=N/C(=C\C(=C)C)CN.
What is the InChIKey of (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
The InChIKey is SYOGUIPMQUELOX-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)4-7(5-8)9-3/h4H,1,3,5,8H2,2H3/b7-4-.
What are the key properties of (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine?
(2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-2-(methylideneamino)penta-2,4-dien-1-amine is sourced from PubChem (CID 142082739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).