(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine

C13H18N4 — CID 170977537

IUPAC(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine
SMILESN/C(=C\C=N\C[C@@H]1CCCN1)c1ccccn1
InChIInChI=1S/C13H18N4/c14-12(13-5-1-2-7-17-13)6-9-15-10-11-4-3-8-16-11/h1-2,5-7,9,11,16H,3-4,8,10,14H2/b12-6-,15-9+/t11-/m0/s1
InChIKeyFOHRUTHYDVYZNP-BNCPXHNMSA-N
MW230.31 g/mol
LogP1.20
Rot. Bonds4

About (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine

(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine (PubChem CID 170977537) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine
PubChem CID170977537
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine
SMILESN/C(=C\C=N\C[C@@H]1CCCN1)c1ccccn1
InChIInChI=1S/C13H18N4/c14-12(13-5-1-2-7-17-13)6-9-15-10-11-4-3-8-16-11/h1-2,5-7,9,11,16H,3-4,8,10,14H2/b12-6-,15-9+/t11-/m0/s1
InChIKeyFOHRUTHYDVYZNP-BNCPXHNMSA-N
XLogP1.20
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
2-(1-pyrrolidin-2-ylpropan-2-yl)pyridine
CID 83907313
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
CID 158997723
2-(pyrrolidin-2-ylmethoxy)pyridin-3-amine
CID 117096153
2-(2-piperidin-2-ylethoxy)pyridine-3-carboxamide
CID 62347441
[(2S)-2-[[[(Z)-3-amino-3-pyridin-2-ylprop-2-enylidene]amino]methyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-5,6,7,9-tetrahydroimidazo[2,1-c][1,4]oxazepin-2-yl)methanone
CID 170977512

Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine?
The IUPAC name of (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine (CID 170977537) is (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine?
The canonical SMILES for (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine is N/C(=C\C=N\C[C@@H]1CCCN1)c1ccccn1.
What is the InChIKey of (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine?
The InChIKey is FOHRUTHYDVYZNP-BNCPXHNMSA-N. The full InChI is InChI=1S/C13H18N4/c14-12(13-5-1-2-7-17-13)6-9-15-10-11-4-3-8-16-11/h1-2,5-7,9,11,16H,3-4,8,10,14H2/b12-6-,15-9+/t11-/m0/s1.
What are the key properties of (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine?
(Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine has a molecular weight of 230.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-pyridin-2-yl-3-[[(2S)-pyrrolidin-2-yl]methylimino]prop-1-en-1-amine is sourced from PubChem (CID 170977537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).