(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine

C15H21N3 — CID 142348115

IUPAC(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)CCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C15H21N3/c1-2-5-13(16)7-3-8-14-10-9-12-6-4-11-17-15(12)18-14/h2,5,9-10,16H,3-4,6-8,11H2,1H3,(H,17,18)/b5-2-,16-13+
InChIKeyQVDKLRQSICMUML-DTFKNTDISA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds5

About (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine

(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine (PubChem CID 142348115) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine.

Molecular Properties

Compound Name(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine
PubChem CID142348115
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine
SMILES[H]/N=C(\C=C/C)CCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C15H21N3/c1-2-5-13(16)7-3-8-14-10-9-12-6-4-11-17-15(12)18-14/h2,5,9-10,16H,3-4,6-8,11H2,1H3,(H,17,18)/b5-2-,16-13+
InChIKeyQVDKLRQSICMUML-DTFKNTDISA-N
XLogP3.36
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-carboxy-1-(6-methoxy-3-pyridinyl)ethyl]-[3-imino-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hex-1-enyl]azanium
CID 152844416
4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid;trihydrochloride
CID 169448886
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
N-methyl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine
CID 68525783
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
N-ethyl-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-amine
CID 154031401
7-(8,8-difluoro-6-methylideneoctyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473822
7-(9,9-difluoro-5-methylidenenonyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139473684
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
7-[6-(azetidin-3-yl)hexyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;ethane
CID 177029160
(E,3R)-1-(2-propan-2-ylpyrimidin-5-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 11485411
3-(4-methoxyphenyl)-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoic acid
CID 118721325

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine?
The IUPAC name of (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine (CID 142348115) is (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine.
What is the SMILES notation for (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine?
The canonical SMILES for (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine is [H]/N=C(\C=C/C)CCCc1ccc2c(n1)NCCC2.
What is the InChIKey of (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine?
The InChIKey is QVDKLRQSICMUML-DTFKNTDISA-N. The full InChI is InChI=1S/C15H21N3/c1-2-5-13(16)7-3-8-14-10-9-12-6-4-11-17-15(12)18-14/h2,5,9-10,16H,3-4,6-8,11H2,1H3,(H,17,18)/b5-2-,16-13+.
What are the key properties of (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine?
(Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine has a molecular weight of 243.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-2-en-4-imine is sourced from PubChem (CID 142348115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).