ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine

C12H30N2 — CID 168902447

IUPACethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCC.CC.CCC1NCCC1CNC
InChIInChI=1S/C8H18N2.2C2H6/c1-3-8-7(6-9-2)4-5-10-8;2*1-2/h7-10H,3-6H2,1-2H3;2*1-2H3
InChIKeyCCGXJQYUTZQVGF-UHFFFAOYSA-N
MW202.39 g/mol
LogP2.65
Rot. Bonds3

About ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine

ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine (PubChem CID 168902447) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
PubChem CID168902447
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nameethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine
SMILESCC.CC.CCC1NCCC1CNC
InChIInChI=1S/C8H18N2.2C2H6/c1-3-8-7(6-9-2)4-5-10-8;2*1-2/h7-10H,3-6H2,1-2H3;2*1-2H3
InChIKeyCCGXJQYUTZQVGF-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
(2R,3R)-2-ethylpyrrolidin-3-amine
CID 90066491
2,3-diethylpiperidine;ethane
CID 144800386
N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343585
(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;propane
CID 143653277
3-benzyl-2-ethylpyrrolidine
CID 4543797
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
N-methyl-1-[(2R,3S)-2-methylpiperidin-3-yl]methanamine
CID 143489270
ethane;3-ethylpyrrolidin-2-amine
CID 142313180
ethane;2-ethylazetidine
CID 90717086

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The IUPAC name of ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine (CID 168902447) is ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine.
What is the SMILES notation for ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The canonical SMILES for ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine is CC.CC.CCC1NCCC1CNC.
What is the InChIKey of ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine?
The InChIKey is CCGXJQYUTZQVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2C2H6/c1-3-8-7(6-9-2)4-5-10-8;2*1-2/h7-10H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine?
ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine has a molecular weight of 202.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethylpyrrolidin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 168902447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).