3-(4,4-dimethylpentyl)pyrrolidine

C11H23N — CID 59630397

IUPAC3-(4,4-dimethylpentyl)pyrrolidine
SMILESCC(C)(C)CCCC1CCNC1
InChIInChI=1S/C11H23N/c1-11(2,3)7-4-5-10-6-8-12-9-10/h10,12H,4-9H2,1-3H3
InChIKeyFEYQRABQDKTSJR-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.81
Rot. Bonds3

About 3-(4,4-dimethylpentyl)pyrrolidine

3-(4,4-dimethylpentyl)pyrrolidine (PubChem CID 59630397) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)pyrrolidine.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)pyrrolidine
PubChem CID59630397
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-(4,4-dimethylpentyl)pyrrolidine
SMILESCC(C)(C)CCCC1CCNC1
InChIInChI=1S/C11H23N/c1-11(2,3)7-4-5-10-6-8-12-9-10/h10,12H,4-9H2,1-3H3
InChIKeyFEYQRABQDKTSJR-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-pentylpyrrolidine
CID 10261191
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
4,4-dimethylpentylcycloundecane
CID 176613669
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
3,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103828982
N-methoxy-N-methyl-3-pyrrolidin-3-ylpropan-1-amine
CID 114396537
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
3-(2-iodoethyl)pyrrolidine
CID 71648953
3-pyrrolidin-3-ylpropane-1-sulfinic acid
CID 67270019
O-(2-methyl-1-pyrrolidin-3-ylpropan-2-yl)hydroxylamine
CID 117104669
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
3-hept-6-enylpyrrolidine
CID 107010775

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)pyrrolidine?
The IUPAC name of 3-(4,4-dimethylpentyl)pyrrolidine (CID 59630397) is 3-(4,4-dimethylpentyl)pyrrolidine.
What is the SMILES notation for 3-(4,4-dimethylpentyl)pyrrolidine?
The canonical SMILES for 3-(4,4-dimethylpentyl)pyrrolidine is CC(C)(C)CCCC1CCNC1.
What is the InChIKey of 3-(4,4-dimethylpentyl)pyrrolidine?
The InChIKey is FEYQRABQDKTSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-11(2,3)7-4-5-10-6-8-12-9-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpentyl)pyrrolidine?
3-(4,4-dimethylpentyl)pyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)pyrrolidine is sourced from PubChem (CID 59630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).