1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine

C14H19N3 — CID 140585361

IUPAC1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine
SMILESCC1(C(N)=CC=Nc2ccccn2)CCCC1
InChIInChI=1S/C14H19N3/c1-14(8-3-4-9-14)12(15)7-11-17-13-6-2-5-10-16-13/h2,5-7,10-11H,3-4,8-9,15H2,1H3
InChIKeyWWAQCBJXCQVWCJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.21
Rot. Bonds3

About 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine

1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine (PubChem CID 140585361) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine
PubChem CID140585361
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine
SMILESCC1(C(N)=CC=Nc2ccccn2)CCCC1
InChIInChI=1S/C14H19N3/c1-14(8-3-4-9-14)12(15)7-11-17-13-6-2-5-10-16-13/h2,5-7,10-11H,3-4,8-9,15H2,1H3
InChIKeyWWAQCBJXCQVWCJ-UHFFFAOYSA-N
XLogP3.21
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,3-diphenyl-N-pyridin-2-ylprop-2-en-1-imine
CID 177386351
CID 173409418
CID 173409418
3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
CID 139678117
(E)-pyridin-2-yliminothiourea
CID 177497182
dipyridin-2-yldiazene;osmium
CID 173074203
3-(1-methylcyclopentyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908797
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
2,2,4,4-tetramethyl-N-pyridin-2-ylpentan-3-imine
CID 160972528
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
2-nitro-N-pyridin-2-ylpropan-1-imine
CID 54493373
1-(2-amino-3-pyridinyl)-2,2-dimethylcyclohexan-1-ol
CID 79853038
(3S)-2,3-dimethyl-3-pyridin-2-ylcyclohexen-1-ol
CID 134580493

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine?
The IUPAC name of 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine (CID 140585361) is 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine is CC1(C(N)=CC=Nc2ccccn2)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine?
The InChIKey is WWAQCBJXCQVWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(8-3-4-9-14)12(15)7-11-17-13-6-2-5-10-16-13/h2,5-7,10-11H,3-4,8-9,15H2,1H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine?
1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine has a molecular weight of 229.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-pyridin-2-yliminoprop-1-en-1-amine is sourced from PubChem (CID 140585361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).