(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine

C15H19N3 — CID 123954140

IUPAC(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine
SMILES[H]/N=C/C1/C(C)=N\CCC=C2C=CC(C=CC)=CN21
InChIInChI=1S/C15H19N3/c1-3-5-13-7-8-14-6-4-9-17-12(2)15(10-16)18(14)11-13/h3,5-8,10-11,15-16H,4,9H2,1-2H3/b5-3?,14-6?,16-10+,17-12-
InChIKeyWXDXGSFHGUIMIA-YQSDKKDQSA-N
MW241.34 g/mol
LogP3.08
Rot. Bonds2

About (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine

(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine (PubChem CID 123954140) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine.

Molecular Properties

Compound Name(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine
PubChem CID123954140
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine
SMILES[H]/N=C/C1/C(C)=N\CCC=C2C=CC(C=CC)=CN21
InChIInChI=1S/C15H19N3/c1-3-5-13-7-8-14-6-4-9-17-12(2)15(10-16)18(14)11-13/h3,5-8,10-11,15-16H,4,9H2,1-2H3/b5-3?,14-6?,16-10+,17-12-
InChIKeyWXDXGSFHGUIMIA-YQSDKKDQSA-N
XLogP3.08
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.08
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

2-[(1E,3Z)-4-fluoro-3-methylhexa-1,3,5-trienyl]-1-methyl-2H-pyrazin-5-amine
CID 134359973
N-(1-ethenyl-5,6-dimethyl-2H-pyridin-4-yl)ethanimine
CID 123272238
N-methyl-2-methylidene-N-[(Z)-2-(propylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 123320059
N-(3H-azepin-5-ylmethyl)propan-2-amine
CID 137512128
(1-propyl-2H-pyridin-2-yl)methanimine
CID 140704241
N-[(3Z)-4-(ethylideneamino)buta-1,3-dien-2-yl]-N,6-dimethyl-3H-azepin-5-amine
CID 143271836
methane;N-[1-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-4-yl]propan-1-imine
CID 144434156
N-[(1E)-1-(3-methylidene-1-propylpyrrol-2-ylidene)ethyl]ethanimine
CID 156122110
2-ethyl-1-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2H-pyrazine
CID 156424023
(Z)-2-[(5Z)-4-methyl-6-[(E)-1-methyliminobut-2-en-2-yl]-5-prop-2-enylidenepyrazin-2-yl]but-2-en-1-imine
CID 166864289
N-propan-2-yl-2-[1-(2-propan-2-yliminoethyl)-2H-pyridin-2-yl]ethanimine
CID 175248469
5-methyl-N-propyl-3H-azepin-3-amine
CID 143423740

Frequently Asked Questions

What is the IUPAC name of (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine?
The IUPAC name of (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine (CID 123954140) is (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine.
What is the SMILES notation for (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine?
The canonical SMILES for (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine is [H]/N=C/C1/C(C)=N\CCC=C2C=CC(C=CC)=CN21.
What is the InChIKey of (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine?
The InChIKey is WXDXGSFHGUIMIA-YQSDKKDQSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-5-13-7-8-14-6-4-9-17-12(2)15(10-16)18(14)11-13/h3,5-8,10-11,15-16H,4,9H2,1-2H3/b5-3?,14-6?,16-10+,17-12-.
What are the key properties of (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine?
(2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine has a molecular weight of 241.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-9-prop-1-enyl-4,5-dihydro-1H-pyrido[1,2-d][1,4]diazocin-1-yl)methanimine is sourced from PubChem (CID 123954140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).