(3S,4S)-3,4-dimethyl-1-propylpyrrolidine

C9H19N — CID 59055005

IUPAC(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
SMILESCCCN1C[C@@H](C)[C@H](C)C1
InChIInChI=1S/C9H19N/c1-4-5-10-6-8(2)9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyKMRXKQNYPMVNSR-RKDXNWHRSA-N
MW141.26 g/mol
LogP1.98
Rot. Bonds2

About (3S,4S)-3,4-dimethyl-1-propylpyrrolidine

(3S,4S)-3,4-dimethyl-1-propylpyrrolidine (PubChem CID 59055005) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyl-1-propylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
PubChem CID59055005
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
SMILESCCCN1C[C@@H](C)[C@H](C)C1
InChIInChI=1S/C9H19N/c1-4-5-10-6-8(2)9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyKMRXKQNYPMVNSR-RKDXNWHRSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,4S)-3,4-dimethyl-1-propylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dimethyl-1-propyl-1-azacyclohept-4-yne
CID 143070430
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
3-methylsulfanyl-1-propylazetidine
CID 66695251
3-tert-butyl-1-propylazetidine
CID 134337419
3-chloro-5-methyl-1-propylpiperidine
CID 131151056
N-(1-propylazetidin-3-yl)formamide
CID 131204150
(3R,4S)-3-ethyl-4-methyl-1-propylpiperidine
CID 145118873
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
3,4-dimethyl-1-(3-methylbut-3-enyl)pyrrolidine
CID 130719606
N-ethyl-N-methyl-1-propylazetidin-3-amine
CID 142615882

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethyl-1-propylpyrrolidine?
The IUPAC name of (3S,4S)-3,4-dimethyl-1-propylpyrrolidine (CID 59055005) is (3S,4S)-3,4-dimethyl-1-propylpyrrolidine.
What is the SMILES notation for (3S,4S)-3,4-dimethyl-1-propylpyrrolidine?
The canonical SMILES for (3S,4S)-3,4-dimethyl-1-propylpyrrolidine is CCCN1C[C@@H](C)[C@H](C)C1.
What is the InChIKey of (3S,4S)-3,4-dimethyl-1-propylpyrrolidine?
The InChIKey is KMRXKQNYPMVNSR-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-10-6-8(2)9(3)7-10/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (3S,4S)-3,4-dimethyl-1-propylpyrrolidine?
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethyl-1-propylpyrrolidine is sourced from PubChem (CID 59055005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).