3-pentyl-1-propan-2-ylpyrrolidine

C12H25N — CID 145194112

IUPAC3-pentyl-1-propan-2-ylpyrrolidine
SMILESCCCCCC1CCN(C(C)C)C1
InChIInChI=1S/C12H25N/c1-4-5-6-7-12-8-9-13(10-12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQDHRVHYVQIFOGD-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds5

About 3-pentyl-1-propan-2-ylpyrrolidine

3-pentyl-1-propan-2-ylpyrrolidine (PubChem CID 145194112) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-pentyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-pentyl-1-propan-2-ylpyrrolidine
PubChem CID145194112
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-pentyl-1-propan-2-ylpyrrolidine
SMILESCCCCCC1CCN(C(C)C)C1
InChIInChI=1S/C12H25N/c1-4-5-6-7-12-8-9-13(10-12)11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyQDHRVHYVQIFOGD-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octyl-1-propan-2-ylpiperidine
CID 167231286
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]octan-1-amine
CID 61207361
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]hexan-2-amine
CID 61207933
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
CID 145315824
N-methyl-1-(1-octan-2-ylpyrrolidin-3-yl)methanamine
CID 62511473
(3R)-1-methyl-3-pentylpiperidine
CID 143571155
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-pentyl-1-propan-2-ylpyrrolidine (CID 145194112) is 3-pentyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-pentyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-pentyl-1-propan-2-ylpyrrolidine is CCCCCC1CCN(C(C)C)C1.
What is the InChIKey of 3-pentyl-1-propan-2-ylpyrrolidine?
The InChIKey is QDHRVHYVQIFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-7-12-8-9-13(10-12)11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-pentyl-1-propan-2-ylpyrrolidine?
3-pentyl-1-propan-2-ylpyrrolidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 145194112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).