(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine

C12H16N2 — CID 156898559

IUPAC(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cccc(C(C)C)c1
InChIInChI=1S/C12H16N2/c1-9(2)10-4-3-5-11(8-10)12(14)6-7-13/h3-9,13H,14H2,1-2H3/b12-6-,13-7+
InChIKeyPMASJOYMJCFZHV-VOFKWTQNSA-N
MW188.27 g/mol
LogP2.76
Rot. Bonds3

About (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine

(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine (PubChem CID 156898559) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
PubChem CID156898559
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cccc(C(C)C)c1
InChIInChI=1S/C12H16N2/c1-9(2)10-4-3-5-11(8-10)12(14)6-7-13/h3-9,13H,14H2,1-2H3/b12-6-,13-7+
InChIKeyPMASJOYMJCFZHV-VOFKWTQNSA-N
XLogP2.76
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 168944442
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
CID 173297669
(Z)-2-hydrazinyl-2-(3-propan-2-ylphenyl)ethenamine
CID 170970755
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
2-(3-propan-2-ylphenyl)prop-1-ene-1-sulfonamide
CID 66768595
3-butan-2-ylbenzenecarboximidamide
CID 129164232
N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
N,N'-diamino-3-propan-2-ylbenzenecarboximidamide
CID 170970616
2-chloro-1-(3-propan-2-ylphenyl)propan-1-one
CID 131009235
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
3-(4,5-dimethylhexan-2-yl)benzenecarboximidamide
CID 142243155

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine (CID 156898559) is (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine is [H]/N=C/C=C(\N)c1cccc(C(C)C)c1.
What is the InChIKey of (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine?
The InChIKey is PMASJOYMJCFZHV-VOFKWTQNSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)10-4-3-5-11(8-10)12(14)6-7-13/h3-9,13H,14H2,1-2H3/b12-6-,13-7+.
What are the key properties of (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine?
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine has a molecular weight of 188.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 156898559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).