(Z)-5-methyl-4-phenyliminohex-2-en-2-amine

C13H18N2 — CID 177051041

IUPAC(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
SMILESC/C(N)=C/C(=N/c1ccccc1)C(C)C
InChIInChI=1S/C13H18N2/c1-10(2)13(9-11(3)14)15-12-7-5-4-6-8-12/h4-10H,14H2,1-3H3/b11-9-,15-13-
InChIKeyTWCFTOICCXIZDZ-CLHOCLAASA-N
MW202.30 g/mol
LogP3.28
Rot. Bonds3

About (Z)-5-methyl-4-phenyliminohex-2-en-2-amine

(Z)-5-methyl-4-phenyliminohex-2-en-2-amine (PubChem CID 177051041) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (Z)-5-methyl-4-phenyliminohex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
PubChem CID177051041
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
SMILESC/C(N)=C/C(=N/c1ccccc1)C(C)C
InChIInChI=1S/C13H18N2/c1-10(2)13(9-11(3)14)15-12-7-5-4-6-8-12/h4-10H,14H2,1-3H3/b11-9-,15-13-
InChIKeyTWCFTOICCXIZDZ-CLHOCLAASA-N
XLogP3.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
bis(2-phenylguanidine);dihydrochloride
CID 160984545
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
3-phenyliminobutan-2-one
CID 12823040
dibromoiron;2-N,3-N-diphenylbutane-2,3-diimine
CID 164938268
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
CID 159784015
ethane;(Z)-6-methyl-4-phenyliminohept-2-ene-1,2-diamine
CID 169215702
deuteriomethane;ethane;2-phenylguanidine
CID 91130505
ethanol;2-phenylguanidine
CID 172840613
[[(Z)-5-oxo-4-phenyliminohex-2-en-2-yl]amino]urea
CID 154721294
(Z)-3-amino-4-methyl-5-phenyl-5-phenyliminopent-3-en-2-one
CID 171543521
(Z)-2-acetyl-3-hydroxy-N'-phenylbut-2-enimidamide
CID 137183212

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methyl-4-phenyliminohex-2-en-2-amine?
The IUPAC name of (Z)-5-methyl-4-phenyliminohex-2-en-2-amine (CID 177051041) is (Z)-5-methyl-4-phenyliminohex-2-en-2-amine.
What is the SMILES notation for (Z)-5-methyl-4-phenyliminohex-2-en-2-amine?
The canonical SMILES for (Z)-5-methyl-4-phenyliminohex-2-en-2-amine is C/C(N)=C/C(=N/c1ccccc1)C(C)C.
What is the InChIKey of (Z)-5-methyl-4-phenyliminohex-2-en-2-amine?
The InChIKey is TWCFTOICCXIZDZ-CLHOCLAASA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)13(9-11(3)14)15-12-7-5-4-6-8-12/h4-10H,14H2,1-3H3/b11-9-,15-13-.
What are the key properties of (Z)-5-methyl-4-phenyliminohex-2-en-2-amine?
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine has a molecular weight of 202.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methyl-4-phenyliminohex-2-en-2-amine is sourced from PubChem (CID 177051041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).