5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine

C14H31N3 — CID 144920999

IUPAC5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
SMILESC.C=C(N)C1CCCCN1.CCC1=CCC=N1.[H][H].[H][H]
InChIInChI=1S/C7H14N2.C6H9N.CH4.2H2/c1-6(8)7-4-2-3-5-9-7;1-2-6-4-3-5-7-6;;;/h7,9H,1-5,8H2;4-5H,2-3H2,1H3;1H4;2*1H
InChIKeyLJMLKFLJPUKACW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.48
Rot. Bonds2

About 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine

5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine (PubChem CID 144920999) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine.

Molecular Properties

Compound Name5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
PubChem CID144920999
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
SMILESC.C=C(N)C1CCCCN1.CCC1=CCC=N1.[H][H].[H][H]
InChIInChI=1S/C7H14N2.C6H9N.CH4.2H2/c1-6(8)7-4-2-3-5-9-7;1-2-6-4-3-5-7-6;;;/h7,9H,1-5,8H2;4-5H,2-3H2,1H3;1H4;2*1H
InChIKeyLJMLKFLJPUKACW-UHFFFAOYSA-N
XLogP3.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 20641669
N-(3H-pyrrol-5-ylmethyl)dodecan-1-amine
CID 58291781
N-(3H-pyrrol-5-ylmethyl)hexadecan-1-amine
CID 58291782
N-(3H-pyrrol-5-ylmethyl)decan-1-amine
CID 58291783
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
CID 89037599
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
N-propan-2-yl-4-(3H-pyrrol-5-yl)butan-1-amine
CID 117754028
N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
CID 123211008
2-(cyclohexen-1-ylimino)-N-ethylethanamine
CID 123650187
6-(5-Aminopiperidin-2-yl)-2,5-dihydropyridin-3-amine
CID 124198695

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine?
The IUPAC name of 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine (CID 144920999) is 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine.
What is the SMILES notation for 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine?
The canonical SMILES for 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine is C.C=C(N)C1CCCCN1.CCC1=CCC=N1.[H][H].[H][H].
What is the InChIKey of 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine?
The InChIKey is LJMLKFLJPUKACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.C6H9N.CH4.2H2/c1-6(8)7-4-2-3-5-9-7;1-2-6-4-3-5-7-6;;;/h7,9H,1-5,8H2;4-5H,2-3H2,1H3;1H4;2*1H.
What are the key properties of 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine?
5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine has a molecular weight of 241.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine is sourced from PubChem (CID 144920999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).