3-chloro-1-(2-methylpropyl)pyrrolidine

C8H16ClN — CID 19819767

IUPAC3-chloro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(Cl)C1
InChIInChI=1S/C8H16ClN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyBQHHFAPFVRRDNK-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-1-(2-methylpropyl)pyrrolidine

3-chloro-1-(2-methylpropyl)pyrrolidine (PubChem CID 19819767) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-chloro-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-(2-methylpropyl)pyrrolidine
PubChem CID19819767
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-chloro-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(Cl)C1
InChIInChI=1S/C8H16ClN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3
InChIKeyBQHHFAPFVRRDNK-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
3-chloro-1-(2,2-difluoroethyl)pyrrolidine
CID 63387384
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-cyclopropyl-2-[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]ethanone
CID 165387278
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
(3R,4R)-3-fluoro-1-(2-methylpropyl)piperidin-4-ol
CID 176977042
3-chloro-1-(2-ethylbutyl)piperidine
CID 82924534
ethane;1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 171515513
4-(hydroxymethyl)-1-(2-methylpropyl)piperidin-3-ol
CID 130703735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-chloro-1-(2-methylpropyl)pyrrolidine (CID 19819767) is 3-chloro-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-chloro-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-chloro-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC(Cl)C1.
What is the InChIKey of 3-chloro-1-(2-methylpropyl)pyrrolidine?
The InChIKey is BQHHFAPFVRRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN/c1-7(2)5-10-4-3-8(9)6-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-chloro-1-(2-methylpropyl)pyrrolidine?
3-chloro-1-(2-methylpropyl)pyrrolidine has a molecular weight of 161.68 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 19819767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).