2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine

C14H23N3 — CID 144718372

IUPAC2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC1=CC2N=C(C)CCC2N1
InChIInChI=1S/C9H14N2.C5H9N/c1-6-3-4-8-9(10-6)5-7(2)11-8;1-3-5-6-4-2/h5,8-9,11H,3-4H2,1-2H3;3-5H,1-2H3/b;5-3-,6-4+
InChIKeyKWFAOCPVAZUZCC-MTIPVESOSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds1

About 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine

2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine (PubChem CID 144718372) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine.

Molecular Properties

Compound Name2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine
PubChem CID144718372
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine
SMILESC/C=C\N=C\C.CC1=CC2N=C(C)CCC2N1
InChIInChI=1S/C9H14N2.C5H9N/c1-6-3-4-8-9(10-6)5-7(2)11-8;1-3-5-6-4-2/h5,8-9,11H,3-4H2,1-2H3;3-5H,1-2H3/b;5-3-,6-4+
InChIKeyKWFAOCPVAZUZCC-MTIPVESOSA-N
XLogP3.10
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.10
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

N-(3H-pyrrol-5-ylmethyl)decan-1-amine
CID 58291783
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CID 70991342
1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
CID 89037599
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
N-(1-prop-1-en-2-yliminobutan-2-yl)cyclohex-3-en-1-amine
CID 138549377
2-(1,2,3,4-Tetrahydropyridin-6-yl)-2,3,4,5-tetrahydropyridine
CID 144329213
5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
CID 144920999
(1E)-1-(4,5-dihydro-3H-pyridin-2-ylidene)-N-methylpent-4-en-2-amine
CID 156227237
3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;ethane
CID 170962571
2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine
CID 144718373

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine?
The IUPAC name of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine (CID 144718372) is 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine.
What is the SMILES notation for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine?
The canonical SMILES for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine is C/C=C\N=C\C.CC1=CC2N=C(C)CCC2N1.
What is the InChIKey of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine?
The InChIKey is KWFAOCPVAZUZCC-MTIPVESOSA-N. The full InChI is InChI=1S/C9H14N2.C5H9N/c1-6-3-4-8-9(10-6)5-7(2)11-8;1-3-5-6-4-2/h5,8-9,11H,3-4H2,1-2H3;3-5H,1-2H3/b;5-3-,6-4+.
What are the key properties of 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine?
2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-b]pyridine;N-[(Z)-prop-1-enyl]ethanimine is sourced from PubChem (CID 144718372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).