1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium

C11H22N+ — CID 19020546

IUPAC1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(CC2CC2)CCCC1
InChIInChI=1S/C11H22N/c1-2-7-12(8-3-4-9-12)10-11-5-6-11/h11H,2-10H2,1H3/q+1
InChIKeyBLRJDLFPKOHMTB-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.42
Rot. Bonds4

About 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium

1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium (PubChem CID 19020546) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium
PubChem CID19020546
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(CC2CC2)CCCC1
InChIInChI=1S/C11H22N/c1-2-7-12(8-3-4-9-12)10-11-5-6-11/h11H,2-10H2,1H3/q+1
InChIKeyBLRJDLFPKOHMTB-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethyl)-1-ethylazocan-1-ium
CID 22646006
1,1-dipropylazepan-1-ium iodide
CID 22406023
1-(cyclohexylmethyl)-1-ethylpyrrolidin-1-ium hydroxide
CID 130290866
1-ethyl-1-propylpyrrolidin-1-ium chloride
CID 66776312
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349
1-nonyl-1-propylpyrrolidin-1-ium fluoride
CID 171570761
1-decyl-1-propylpiperidin-1-ium
CID 171570313
1-butyl-1-propylpiperidin-1-ium cyanide
CID 171569817
1-prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
5-(1-propylpiperidin-1-ium-1-yl)pentan-1-ol
CID 155168800
3-(1-butylpyrrolidin-1-ium-1-yl)propan-1-amine
CID 164938804

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium?
The IUPAC name of 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium (CID 19020546) is 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium.
What is the SMILES notation for 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium?
The canonical SMILES for 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium is CCC[N+]1(CC2CC2)CCCC1.
What is the InChIKey of 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium?
The InChIKey is BLRJDLFPKOHMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-2-7-12(8-3-4-9-12)10-11-5-6-11/h11H,2-10H2,1H3/q+1.
What are the key properties of 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium?
1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium has a molecular weight of 168.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 19020546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).