3-(1-pentylpyrrolidin-2-yl)propan-1-amine

C12H26N2 — CID 63762476

IUPAC3-(1-pentylpyrrolidin-2-yl)propan-1-amine
SMILESCCCCCN1CCCC1CCCN
InChIInChI=1S/C12H26N2/c1-2-3-4-10-14-11-6-8-12(14)7-5-9-13/h12H,2-11,13H2,1H3
InChIKeyNAVUUMGYQYCRIJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds7

About 3-(1-pentylpyrrolidin-2-yl)propan-1-amine

3-(1-pentylpyrrolidin-2-yl)propan-1-amine (PubChem CID 63762476) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-(1-pentylpyrrolidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-pentylpyrrolidin-2-yl)propan-1-amine
PubChem CID63762476
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-(1-pentylpyrrolidin-2-yl)propan-1-amine
SMILESCCCCCN1CCCC1CCCN
InChIInChI=1S/C12H26N2/c1-2-3-4-10-14-11-6-8-12(14)7-5-9-13/h12H,2-11,13H2,1H3
InChIKeyNAVUUMGYQYCRIJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
2-butyl-1-dodecylpyrrolidine;formonitrile
CID 175874902
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-butyl-1-hexylpiperidine
CID 171569565
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513
1-pentyl-2-propylpiperidine
CID 54429991
2-(3-methoxypropyl)-1-pentylpyrrolidine
CID 167067724

Frequently Asked Questions

What is the IUPAC name of 3-(1-pentylpyrrolidin-2-yl)propan-1-amine?
The IUPAC name of 3-(1-pentylpyrrolidin-2-yl)propan-1-amine (CID 63762476) is 3-(1-pentylpyrrolidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-pentylpyrrolidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-pentylpyrrolidin-2-yl)propan-1-amine is CCCCCN1CCCC1CCCN.
What is the InChIKey of 3-(1-pentylpyrrolidin-2-yl)propan-1-amine?
The InChIKey is NAVUUMGYQYCRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-2-3-4-10-14-11-6-8-12(14)7-5-9-13/h12H,2-11,13H2,1H3.
What are the key properties of 3-(1-pentylpyrrolidin-2-yl)propan-1-amine?
3-(1-pentylpyrrolidin-2-yl)propan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentylpyrrolidin-2-yl)propan-1-amine is sourced from PubChem (CID 63762476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).