ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine

C8H22N2 — CID 142194562

IUPACethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
SMILESCC.NCCN1CCCC1.[H][H]
InChIInChI=1S/C6H14N2.C2H6.H2/c7-3-6-8-4-1-2-5-8;1-2;/h1-7H2;1-2H3;1H
InChIKeyRBQBMCXCIVFANP-UHFFFAOYSA-N
MW146.28 g/mol
LogP1.31
Rot. Bonds2

About ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine

ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine (PubChem CID 142194562) has the molecular formula C8H22N2 and a molecular weight of 146.28 g/mol. Its IUPAC name is ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Nameethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
PubChem CID142194562
Molecular FormulaC8H22N2
Molecular Weight146.28 g/mol
Exact Mass146.18
IUPAC Nameethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine
SMILESCC.NCCN1CCCC1.[H][H]
InChIInChI=1S/C6H14N2.C2H6.H2/c7-3-6-8-4-1-2-5-8;1-2;/h1-7H2;1-2H3;1H
InChIKeyRBQBMCXCIVFANP-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
methane;2-piperidin-1-ylethanamine
CID 158303452
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407
2-(4-methylpiperazin-1-yl)ethanamine;2-morpholin-4-ylethanamine;2-piperidin-1-ylethanamine
CID 162033952
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
ethane;piperidin-1-ylmethanamine
CID 166079141
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
N'-(2-aminoethyl)-N'-(2-piperidin-1-ylethyl)ethane-1,2-diamine
CID 67575896
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine?
The IUPAC name of ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine (CID 142194562) is ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine?
The canonical SMILES for ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine is CC.NCCN1CCCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine?
The InChIKey is RBQBMCXCIVFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H6.H2/c7-3-6-8-4-1-2-5-8;1-2;/h1-7H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine?
ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine has a molecular weight of 146.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 142194562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).