(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine

C15H16N2 — CID 176940262

IUPAC(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cc(C)ccc1C1(C#C)CC1
InChIInChI=1S/C15H16N2/c1-3-15(7-8-15)13-5-4-11(2)10-12(13)14(17)6-9-16/h1,4-6,9-10,16H,7-8,17H2,2H3/b14-6-,16-9+
InChIKeyJFLFEDPWVPZSAO-JFJNRIKNSA-N
MW224.31 g/mol
LogP2.61
Rot. Bonds3

About (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine

(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine (PubChem CID 176940262) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine
PubChem CID176940262
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)c1cc(C)ccc1C1(C#C)CC1
InChIInChI=1S/C15H16N2/c1-3-15(7-8-15)13-5-4-11(2)10-12(13)14(17)6-9-16/h1,4-6,9-10,16H,7-8,17H2,2H3/b14-6-,16-9+
InChIKeyJFLFEDPWVPZSAO-JFJNRIKNSA-N
XLogP2.61
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
1-(1-ethynylcyclopropyl)-3-methylbenzene
CID 165442265
(Z)-1-(2,5-dimethylphenyl)prop-1-en-1-amine
CID 144516209
1-(4-chlorophenyl)-3-iminoprop-1-en-1-amine
CID 173297669
(Z)-3-imino-1-(3-propan-2-ylphenyl)prop-1-en-1-amine
CID 156898559
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-(2,2-dimethylpyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930509
[5-amino-4-[(Z)-2-amino-4-iminobut-2-enimidoyl]-2-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 134547318
4-[(Z)-1-amino-3-iminoprop-1-enyl]-5-fluoro-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 137227495

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine (CID 176940262) is (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(\N)c1cc(C)ccc1C1(C#C)CC1.
What is the InChIKey of (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine?
The InChIKey is JFLFEDPWVPZSAO-JFJNRIKNSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-15(7-8-15)13-5-4-11(2)10-12(13)14(17)6-9-16/h1,4-6,9-10,16H,7-8,17H2,2H3/b14-6-,16-9+.
What are the key properties of (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine?
(Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(1-ethynylcyclopropyl)-5-methylphenyl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 176940262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).