ethane;3-methyl-4-propylpyrrolidine

C10H23N — CID 166487820

IUPACethane;3-methyl-4-propylpyrrolidine
SMILESCC.CCCC1CNCC1C
InChIInChI=1S/C8H17N.C2H6/c1-3-4-8-6-9-5-7(8)2;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyJZPYZYWPGVFGHB-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds2

About ethane;3-methyl-4-propylpyrrolidine

ethane;3-methyl-4-propylpyrrolidine (PubChem CID 166487820) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;3-methyl-4-propylpyrrolidine.

Molecular Properties

Compound Nameethane;3-methyl-4-propylpyrrolidine
PubChem CID166487820
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;3-methyl-4-propylpyrrolidine
SMILESCC.CCCC1CNCC1C
InChIInChI=1S/C8H17N.C2H6/c1-3-4-8-6-9-5-7(8)2;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyJZPYZYWPGVFGHB-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-methyl-4-nonylpyrrolidine
CID 118011662
N-[2-[2-(4-methylpyrrolidin-3-yl)ethoxy]ethyl]propan-1-amine
CID 130443361
N-butyl-N-[(4-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 63715356
ethane;1-methyl-2-propylcyclopropane
CID 144710386
(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
3-ethyl-5-methylpiperidin-4-ol
CID 20773336
ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
(3R,4R)-3-ethyl-4-iodopyrrolidine
CID 134386947
4-(5-methyl-1,2,4-triazolidin-1-yl)-5-propylpiperidin-3-amine
CID 146579861
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
ethane;methane;3-methyl-4-propyloxolane
CID 144611295

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propylpyrrolidine?
The IUPAC name of ethane;3-methyl-4-propylpyrrolidine (CID 166487820) is ethane;3-methyl-4-propylpyrrolidine.
What is the SMILES notation for ethane;3-methyl-4-propylpyrrolidine?
The canonical SMILES for ethane;3-methyl-4-propylpyrrolidine is CC.CCCC1CNCC1C.
What is the InChIKey of ethane;3-methyl-4-propylpyrrolidine?
The InChIKey is JZPYZYWPGVFGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-3-4-8-6-9-5-7(8)2;1-2/h7-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propylpyrrolidine?
ethane;3-methyl-4-propylpyrrolidine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propylpyrrolidine is sourced from PubChem (CID 166487820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).