(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine

C11H14N2 — CID 163243515

IUPAC(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1c(C)cccc1C
InChIInChI=1S/C11H14N2/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,12H,13H2,1-2H3/b10-6-,12-7+
InChIKeyVODJZNNLJFTPNK-KMJJTFSOSA-N
MW174.25 g/mol
LogP2.25
Rot. Bonds2

About (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine

(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine (PubChem CID 163243515) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
PubChem CID163243515
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1c(C)cccc1C
InChIInChI=1S/C11H14N2/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,12H,13H2,1-2H3/b10-6-,12-7+
InChIKeyVODJZNNLJFTPNK-KMJJTFSOSA-N
XLogP2.25
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.25
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

3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 148702605
(Z)-3-imino-1-(3-methylphenyl)prop-1-en-1-amine
CID 145049021
(Z)-1-(3,4-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 168944442
2,6-dimethylbenzenecarboximidamide
CID 5047790
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
CID 156898559
(Z)-3-(2-methylphenyl)but-2-en-1-imine
CID 118097726
(Z)-3-imino-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 166120557
1-(2,6-dimethylphenyl)-2-iminoethanone
CID 123933516
1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
CID 173297669
(Z)-4-amino-4-(2,6-dimethylphenyl)but-3-en-2-ol;ethane
CID 176970768
1-(2,6-dimethylphenyl)ethenamine
CID 70299963
(2Z)-2-(1-methylfluoren-9-ylidene)ethanimine
CID 146360185

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine (CID 163243515) is (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(\N)c1c(C)cccc1C.
What is the InChIKey of (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine?
The InChIKey is VODJZNNLJFTPNK-KMJJTFSOSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-4-3-5-9(2)11(8)10(13)6-7-12/h3-7,12H,13H2,1-2H3/b10-6-,12-7+.
What are the key properties of (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine?
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine has a molecular weight of 174.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 163243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).