ethane;1,2,3,4-tetrahydropyridine

C7H15N — CID 91092603

IUPACethane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CC
InChIInChI=1S/C5H9N.C2H6/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;1-2H3
InChIKeyMGCYNIMJXAUPIL-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.91
Rot. Bonds

About ethane;1,2,3,4-tetrahydropyridine

ethane;1,2,3,4-tetrahydropyridine (PubChem CID 91092603) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is ethane;1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Nameethane;1,2,3,4-tetrahydropyridine
PubChem CID91092603
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Nameethane;1,2,3,4-tetrahydropyridine
SMILESC1=CNCCC1.CC
InChIInChI=1S/C5H9N.C2H6/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;1-2H3
InChIKeyMGCYNIMJXAUPIL-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10176084
N-methylpent-4-en-1-amine
CID 541660
Methyl(pent-4-en-1-yl)amine hydrochloride
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2-Ethyltetrahydropyridine
CID 68154428
Tetrahydroazepine
CID 10942348
5-Methylpyrroline
CID 14620016
1,2,3,4-Tetrahydropyridine hydrochloride
CID 18388400
Tetrahydropicolin
CID 18920318
4-Methyltetrahydropyridine
CID 21432697
Hexahydroazocine
CID 22238101
4-Aminotetrahydropyridine
CID 22623665
3-Methyltetrahydropyridine
CID 22630110

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4-tetrahydropyridine?
The IUPAC name of ethane;1,2,3,4-tetrahydropyridine (CID 91092603) is ethane;1,2,3,4-tetrahydropyridine.
What is the SMILES notation for ethane;1,2,3,4-tetrahydropyridine?
The canonical SMILES for ethane;1,2,3,4-tetrahydropyridine is C1=CNCCC1.CC.
What is the InChIKey of ethane;1,2,3,4-tetrahydropyridine?
The InChIKey is MGCYNIMJXAUPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C2H6/c1-2-4-6-5-3-1;1-2/h2,4,6H,1,3,5H2;1-2H3.
What are the key properties of ethane;1,2,3,4-tetrahydropyridine?
ethane;1,2,3,4-tetrahydropyridine has a molecular weight of 113.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 91092603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).