1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine

C11H20N2 — CID 176943094

IUPAC1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=CCCNC1CC
InChIInChI=1S/C11H20N2/c1-3-6-10(12)9-7-5-8-13-11(9)4-2/h7,11-13H,3-6,8H2,1-2H3/b12-10+
InChIKeyNBNWXTSMWVBOQU-ZRDIBKRKSA-N
MW180.29 g/mol
LogP2.50
Rot. Bonds4

About 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine

1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine (PubChem CID 176943094) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine.

Molecular Properties

Compound Name1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine
PubChem CID176943094
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine
SMILES[H]/N=C(\CCC)C1=CCCNC1CC
InChIInChI=1S/C11H20N2/c1-3-6-10(12)9-7-5-8-13-11(9)4-2/h7,11-13H,3-6,8H2,1-2H3/b12-10+
InChIKeyNBNWXTSMWVBOQU-ZRDIBKRKSA-N
XLogP2.50
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-6-Allyl-2-(hex-5-enyl)-4-methyl-1,2,3,6-tetrahydropyridine
CID 129879949
(E)-N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 14326929
N-[2-(cyclohexen-1-yl)ethyl]propan-2-amine
CID 20811752
N-[2-(cyclohexen-1-yl)ethyl]pentan-3-amine
CID 29040034
N-methoxy-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 54269285
1-(cyclohexen-1-yl)-N-methylethanamine
CID 62079031
4-Pentyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
CID 67082324
2-Methyl-4-pentyl-1,2,3,6-tetrahydropyridine
CID 70542347
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
2,3,4,6,7,8-Hexahydro-1,7-naphthyridine
CID 90932734

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine?
The IUPAC name of 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine (CID 176943094) is 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine.
What is the SMILES notation for 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine?
The canonical SMILES for 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine is [H]/N=C(\CCC)C1=CCCNC1CC.
What is the InChIKey of 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine?
The InChIKey is NBNWXTSMWVBOQU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-6-10(12)9-7-5-8-13-11(9)4-2/h7,11-13H,3-6,8H2,1-2H3/b12-10+.
What are the key properties of 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine?
1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine has a molecular weight of 180.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,2,3,6-tetrahydropyridin-5-yl)butan-1-imine is sourced from PubChem (CID 176943094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).