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

C15H32N2 — CID 170634492

IUPACbutane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
SMILESC/C=N/C1=C(C)CN(C)CC1.CC.CCCC
InChIInChI=1S/C9H16N2.C4H10.C2H6/c1-4-10-9-5-6-11(3)7-8(9)2;1-3-4-2;1-2/h4H,5-7H2,1-3H3;3-4H2,1-2H3;1-2H3/b10-4+;;
InChIKeyGZKNWRZQRVBNHM-JPRUNYMKSA-N
MW240.43 g/mol
LogP4.52
Rot. Bonds2

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

butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane (PubChem CID 170634492) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane.

Molecular Properties

Compound Namebutane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
PubChem CID170634492
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Namebutane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane
SMILESC/C=N/C1=C(C)CN(C)CC1.CC.CCCC
InChIInChI=1S/C9H16N2.C4H10.C2H6/c1-4-10-9-5-6-11(3)7-8(9)2;1-3-4-2;1-2/h4H,5-7H2,1-3H3;3-4H2,1-2H3;1-2H3/b10-4+;;
InChIKeyGZKNWRZQRVBNHM-JPRUNYMKSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58223136
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
3,4-Dimethylpent-3-enylidene-methyl-[3-(2,3,4-trimethyl-2,5-dihydropyridin-1-ium-1-yl)propyl]azanium
CID 59357084
N,N,5,6-tetramethyl-3,4-dihydropyridin-4-amine
CID 123171611
Ethylidene-methyl-[2-(1,1,3-trimethylazirin-1-ium-2-yl)propyl]azanium
CID 123494882
6-ethyl-1,5-dimethyl-2H-pyrazine
CID 126561475
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 143431654
N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 143431655
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)propan-2-imine
CID 145046784
N-(5-ethyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)pentan-2-imine
CID 163465018
N-(5,7-dimethyl-5-azaspiro[2.5]oct-7-en-8-yl)ethanimine
CID 170093422
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493

Frequently Asked Questions

What is the IUPAC name of butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane?
The IUPAC name of butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane (CID 170634492) is butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane.
What is the SMILES notation for butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane?
The canonical SMILES for butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane is C/C=N/C1=C(C)CN(C)CC1.CC.CCCC.
What is the InChIKey of butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane?
The InChIKey is GZKNWRZQRVBNHM-JPRUNYMKSA-N. The full InChI is InChI=1S/C9H16N2.C4H10.C2H6/c1-4-10-9-5-6-11(3)7-8(9)2;1-3-4-2;1-2/h4H,5-7H2,1-3H3;3-4H2,1-2H3;1-2H3/b10-4+;;.
What are the key properties of butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane?
butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane has a molecular weight of 240.43 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine;ethane is sourced from PubChem (CID 170634492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).