ethane;4-methyl-2-propylpyrrolidine

C10H23N — CID 170743275

IUPACethane;4-methyl-2-propylpyrrolidine
SMILESCC.CCCC1CC(C)CN1
InChIInChI=1S/C8H17N.C2H6/c1-3-4-8-5-7(2)6-9-8;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyKKNIZAOTBJTASN-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds2

About ethane;4-methyl-2-propylpyrrolidine

ethane;4-methyl-2-propylpyrrolidine (PubChem CID 170743275) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;4-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Nameethane;4-methyl-2-propylpyrrolidine
PubChem CID170743275
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;4-methyl-2-propylpyrrolidine
SMILESCC.CCCC1CC(C)CN1
InChIInChI=1S/C8H17N.C2H6/c1-3-4-8-5-7(2)6-9-8;1-2/h7-9H,3-6H2,1-2H3;1-2H3
InChIKeyKKNIZAOTBJTASN-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4S)-2-hexyl-4-methylpyrrolidine
CID 101063075
2-propylaziridine
CID 544792
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
2-(fluoromethyl)-4-methylpyrrolidine;hydrochloride
CID 138114248
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
N,N-dimethyl-1-(4-methylpyrrolidin-2-yl)methanamine;ethane
CID 168883366
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
(2S,4S)-4-ethoxy-2-propylpyrrolidine
CID 99994308
(2S,4S)-2-(butoxymethyl)-4-methylpyrrolidine
CID 89165385
N-methyl-1-[(2R,4R)-4-methylpyrrolidin-2-yl]methanamine
CID 147487511
2,4-dimethyl-6-propylpiperidine
CID 126500183
4-hydroxy-6-propylpiperidine-3-carboxylic acid
CID 130146203

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-2-propylpyrrolidine?
The IUPAC name of ethane;4-methyl-2-propylpyrrolidine (CID 170743275) is ethane;4-methyl-2-propylpyrrolidine.
What is the SMILES notation for ethane;4-methyl-2-propylpyrrolidine?
The canonical SMILES for ethane;4-methyl-2-propylpyrrolidine is CC.CCCC1CC(C)CN1.
What is the InChIKey of ethane;4-methyl-2-propylpyrrolidine?
The InChIKey is KKNIZAOTBJTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-3-4-8-5-7(2)6-9-8;1-2/h7-9H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-2-propylpyrrolidine?
ethane;4-methyl-2-propylpyrrolidine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-2-propylpyrrolidine is sourced from PubChem (CID 170743275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).