5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine

C11H16N2 — CID 138532994

IUPAC5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
SMILESC/C=C\N=C1/CC=C(C(C)C)C=N1
InChIInChI=1S/C11H16N2/c1-4-7-12-11-6-5-10(8-13-11)9(2)3/h4-5,7-9H,6H2,1-3H3/b7-4-,12-11+
InChIKeyBXAIZJUJBMFDHX-OFBTUZCMSA-N
MW176.26 g/mol
LogP2.98
Rot. Bonds2

About 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine

5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine (PubChem CID 138532994) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine.

Molecular Properties

Compound Name5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
PubChem CID138532994
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine
SMILESC/C=C\N=C1/CC=C(C(C)C)C=N1
InChIInChI=1S/C11H16N2/c1-4-7-12-11-6-5-10(8-13-11)9(2)3/h4-5,7-9H,6H2,1-3H3/b7-4-,12-11+
InChIKeyBXAIZJUJBMFDHX-OFBTUZCMSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylpyrimido[4,5-b]azepine
CID 70324931
(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 131969535
N'-methyl-N-[(Z)-2-propan-2-ylbut-2-enylidene]methanimidamide
CID 132011678
(5Z)-N-ethenyl-2-methyl-5-(2-methylpropylidene)pyrimidin-4-imine
CID 134242605
3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 139503767
ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
CID 142280939
N-[(Z)-2-methylbut-2-enylidene]-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 142396743
ethane;6H-pyrido[2,3-b]azepine
CID 143294948
6,6-Dimethylpyrimido[4,5-b]azepine;ethane
CID 143321842
5-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-3H-pyridin-2-imine
CID 143716589
2-N,3-N-bis(ethenyl)pyridine-2,3-diimine;ethane
CID 143789552

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine?
The IUPAC name of 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine (CID 138532994) is 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine.
What is the SMILES notation for 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine?
The canonical SMILES for 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine is C/C=C\N=C1/CC=C(C(C)C)C=N1.
What is the InChIKey of 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine?
The InChIKey is BXAIZJUJBMFDHX-OFBTUZCMSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-7-12-11-6-5-10(8-13-11)9(2)3/h4-5,7-9H,6H2,1-3H3/b7-4-,12-11+.
What are the key properties of 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine?
5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(Z)-prop-1-enyl]-3H-pyridin-2-imine is sourced from PubChem (CID 138532994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).