ethane;pyrrolidin-3-ylmethanamine

C9H24N2 — CID 142426131

IUPACethane;pyrrolidin-3-ylmethanamine
SMILESCC.CC.NCC1CCNC1
InChIInChI=1S/C5H12N2.2C2H6/c6-3-5-1-2-7-4-5;2*1-2/h5,7H,1-4,6H2;2*1-2H3
InChIKeyFLAPRLOXTJEWCG-UHFFFAOYSA-N
MW160.30 g/mol
LogP1.61
Rot. Bonds1

About ethane;pyrrolidin-3-ylmethanamine

ethane;pyrrolidin-3-ylmethanamine (PubChem CID 142426131) has the molecular formula C9H24N2 and a molecular weight of 160.30 g/mol. Its IUPAC name is ethane;pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Nameethane;pyrrolidin-3-ylmethanamine
PubChem CID142426131
Molecular FormulaC9H24N2
Molecular Weight160.30 g/mol
Exact Mass160.19
IUPAC Nameethane;pyrrolidin-3-ylmethanamine
SMILESCC.CC.NCC1CCNC1
InChIInChI=1S/C5H12N2.2C2H6/c6-3-5-1-2-7-4-5;2*1-2/h5,7H,1-4,6H2;2*1-2H3
InChIKeyFLAPRLOXTJEWCG-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
ethane;3-ethylpyrrolidine
CID 143803201
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
diazinan-4-ylmethanamine
CID 91317227
iron(5+);piperidin-4-ylmethanamine;pentacyanide
CID 88790374
(3R)-3-(methylsulfanylmethyl)pyrrolidine
CID 90143250
N,N-diethyl-2-[(3S)-pyrrolidin-3-yl]ethanamine
CID 126580755
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
CID 143374848

Frequently Asked Questions

What is the IUPAC name of ethane;pyrrolidin-3-ylmethanamine?
The IUPAC name of ethane;pyrrolidin-3-ylmethanamine (CID 142426131) is ethane;pyrrolidin-3-ylmethanamine.
What is the SMILES notation for ethane;pyrrolidin-3-ylmethanamine?
The canonical SMILES for ethane;pyrrolidin-3-ylmethanamine is CC.CC.NCC1CCNC1.
What is the InChIKey of ethane;pyrrolidin-3-ylmethanamine?
The InChIKey is FLAPRLOXTJEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2C2H6/c6-3-5-1-2-7-4-5;2*1-2/h5,7H,1-4,6H2;2*1-2H3.
What are the key properties of ethane;pyrrolidin-3-ylmethanamine?
ethane;pyrrolidin-3-ylmethanamine has a molecular weight of 160.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 142426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).