3-(3,3-dimethylpentyl)-1-methylpyrrolidine

C12H25N — CID 166971652

IUPAC3-(3,3-dimethylpentyl)-1-methylpyrrolidine
SMILESCCC(C)(C)CCC1CCN(C)C1
InChIInChI=1S/C12H25N/c1-5-12(2,3)8-6-11-7-9-13(4)10-11/h11H,5-10H2,1-4H3
InChIKeyLJWXNTHHJPRKNI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds4

About 3-(3,3-dimethylpentyl)-1-methylpyrrolidine

3-(3,3-dimethylpentyl)-1-methylpyrrolidine (PubChem CID 166971652) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-(3,3-dimethylpentyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(3,3-dimethylpentyl)-1-methylpyrrolidine
PubChem CID166971652
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-(3,3-dimethylpentyl)-1-methylpyrrolidine
SMILESCCC(C)(C)CCC1CCN(C)C1
InChIInChI=1S/C12H25N/c1-5-12(2,3)8-6-11-7-9-13(4)10-11/h11H,5-10H2,1-4H3
InChIKeyLJWXNTHHJPRKNI-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3,3-dimethylpentyl)piperidin-1-yl]ethanol
CID 134256232
(3S)-3-(2,2-dimethylpropyl)-1-methylpyrrolidine
CID 131972870
1-tert-butyl-4-(3,3-dimethylpentyl)cyclohexane
CID 123230670
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
1-methyl-3-(2-methylbutan-2-yl)pyrrolidine
CID 129106499
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
3-(3,3-dimethylbutyl)pyrrolidin-1-ide;3-(2,2-dimethylpropyl)-1-methylpyrrolidine;tungsten
CID 161326255

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentyl)-1-methylpyrrolidine?
The IUPAC name of 3-(3,3-dimethylpentyl)-1-methylpyrrolidine (CID 166971652) is 3-(3,3-dimethylpentyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(3,3-dimethylpentyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(3,3-dimethylpentyl)-1-methylpyrrolidine is CCC(C)(C)CCC1CCN(C)C1.
What is the InChIKey of 3-(3,3-dimethylpentyl)-1-methylpyrrolidine?
The InChIKey is LJWXNTHHJPRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-12(2,3)8-6-11-7-9-13(4)10-11/h11H,5-10H2,1-4H3.
What are the key properties of 3-(3,3-dimethylpentyl)-1-methylpyrrolidine?
3-(3,3-dimethylpentyl)-1-methylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentyl)-1-methylpyrrolidine is sourced from PubChem (CID 166971652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).