(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine

C8H14N2 — CID 142112533

IUPAC(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
SMILESC=N/C(C)=C\C(N)=C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)8(9)5-7(3)10-4/h5H,4,9H2,1-3H3/b7-5-
InChIKeyYXKIFYZBHFDRPO-ALCCZGGFSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

About (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine

(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine (PubChem CID 142112533) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
PubChem CID142112533
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
SMILESC=N/C(C)=C\C(N)=C(C)C
InChIInChI=1S/C8H14N2/c1-6(2)8(9)5-7(3)10-4/h5H,4,9H2,1-3H3/b7-5-
InChIKeyYXKIFYZBHFDRPO-ALCCZGGFSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
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

ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
CID 142804445
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
N-[(2Z,4Z)-4-ethylhexa-2,4-dien-2-yl]methanimine
CID 143591444
N-[(2Z,4E)-5-methoxy-4-methylhexa-2,4-dien-2-yl]methanimine
CID 166874510
(4Z)-2-methyl-5-propan-2-ylhepta-2,4,6-trien-3-amine
CID 138459729
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
[(1E,3Z)-2-bromo-4-(methylideneamino)penta-1,3-dienyl] thiohypochlorite
CID 166684447
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
CID 174135156
CID 174135156
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine?
The IUPAC name of (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine (CID 142112533) is (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine.
What is the SMILES notation for (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine?
The canonical SMILES for (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine is C=N/C(C)=C\C(N)=C(C)C.
What is the InChIKey of (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine?
The InChIKey is YXKIFYZBHFDRPO-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8(9)5-7(3)10-4/h5H,4,9H2,1-3H3/b7-5-.
What are the key properties of (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine?
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine is sourced from PubChem (CID 142112533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).