butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

C16H34N2 — CID 170635801

IUPACbutane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CC)C1.CC.CCCC
InChIInChI=1S/C10H18N2.C4H10.C2H6/c1-4-11-10-8-12(5-2)7-6-9(10)3;1-3-4-2;1-2/h4H,5-8H2,1-3H3;3-4H2,1-2H3;1-2H3/b11-4+;;
InChIKeyGKLKYYLXPKUTIB-QKBHCULISA-N
MW254.46 g/mol
LogP4.91
Rot. Bonds3

About butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine

butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (PubChem CID 170635801) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.

Molecular Properties

Compound Namebutane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
PubChem CID170635801
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Namebutane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
SMILESC/C=N/C1=C(C)CCN(CC)C1.CC.CCCC
InChIInChI=1S/C10H18N2.C4H10.C2H6/c1-4-11-10-8-12(5-2)7-6-9(10)3;1-3-4-2;1-2/h4H,5-8H2,1-3H3;3-4H2,1-2H3;1-2H3/b11-4+;;
InChIKeyGKLKYYLXPKUTIB-QKBHCULISA-N
XLogP4.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine with MolForge

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Related Compounds

1-Butyl-5,6-ditert-butyl-2,7-dihydro-1,4-diazepine
CID 20871995
N-(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)propan-2-imine
CID 145046783
butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
CID 170634492
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493
N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 170635802
N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 174255875
N-ethyl-N-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]ethanamine
CID 145520154

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The IUPAC name of butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine (CID 170635801) is butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine.
What is the SMILES notation for butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The canonical SMILES for butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is C/C=N/C1=C(C)CCN(CC)C1.CC.CCCC.
What is the InChIKey of butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
The InChIKey is GKLKYYLXPKUTIB-QKBHCULISA-N. The full InChI is InChI=1S/C10H18N2.C4H10.C2H6/c1-4-11-10-8-12(5-2)7-6-9(10)3;1-3-4-2;1-2/h4H,5-8H2,1-3H3;3-4H2,1-2H3;1-2H3/b11-4+;;.
What are the key properties of butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine?
butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine has a molecular weight of 254.46 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine is sourced from PubChem (CID 170635801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).