ethane;(1-ethylpyrrolidin-2-yl)methanamine

C9H22N2 — CID 142961136

IUPACethane;(1-ethylpyrrolidin-2-yl)methanamine
SMILESCC.CCN1CCCC1CN
InChIInChI=1S/C7H16N2.C2H6/c1-2-9-5-3-4-7(9)6-8;1-2/h7H,2-6,8H2,1H3;1-2H3
InChIKeyIYAIKMSFJXHOSY-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds2

About ethane;(1-ethylpyrrolidin-2-yl)methanamine

ethane;(1-ethylpyrrolidin-2-yl)methanamine (PubChem CID 142961136) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;(1-ethylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Nameethane;(1-ethylpyrrolidin-2-yl)methanamine
PubChem CID142961136
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;(1-ethylpyrrolidin-2-yl)methanamine
SMILESCC.CCN1CCCC1CN
InChIInChI=1S/C7H16N2.C2H6/c1-2-9-5-3-4-7(9)6-8;1-2/h7H,2-6,8H2,1H3;1-2H3
InChIKeyIYAIKMSFJXHOSY-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
CID 59293958
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanamine
CID 112702102

Frequently Asked Questions

What is the IUPAC name of ethane;(1-ethylpyrrolidin-2-yl)methanamine?
The IUPAC name of ethane;(1-ethylpyrrolidin-2-yl)methanamine (CID 142961136) is ethane;(1-ethylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for ethane;(1-ethylpyrrolidin-2-yl)methanamine?
The canonical SMILES for ethane;(1-ethylpyrrolidin-2-yl)methanamine is CC.CCN1CCCC1CN.
What is the InChIKey of ethane;(1-ethylpyrrolidin-2-yl)methanamine?
The InChIKey is IYAIKMSFJXHOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-2-9-5-3-4-7(9)6-8;1-2/h7H,2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;(1-ethylpyrrolidin-2-yl)methanamine?
ethane;(1-ethylpyrrolidin-2-yl)methanamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-ethylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 142961136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).