4-fluoro-N-hexylpyrrolidin-3-amine

C10H21FN2 — CID 54189504

IUPAC4-fluoro-N-hexylpyrrolidin-3-amine
SMILESCCCCCCNC1CNCC1F
InChIInChI=1S/C10H21FN2/c1-2-3-4-5-6-13-10-8-12-7-9(10)11/h9-10,12-13H,2-8H2,1H3
InChIKeyKRUSGYLBBPAYIP-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.47
Rot. Bonds6

About 4-fluoro-N-hexylpyrrolidin-3-amine

4-fluoro-N-hexylpyrrolidin-3-amine (PubChem CID 54189504) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-fluoro-N-hexylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-N-hexylpyrrolidin-3-amine
PubChem CID54189504
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name4-fluoro-N-hexylpyrrolidin-3-amine
SMILESCCCCCCNC1CNCC1F
InChIInChI=1S/C10H21FN2/c1-2-3-4-5-6-13-10-8-12-7-9(10)11/h9-10,12-13H,2-8H2,1H3
InChIKeyKRUSGYLBBPAYIP-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
2-fluoro-1-oxido-N-pentylazetidin-3-amine
CID 88708123
(3S)-3-fluoro-4-tetradecan-7-ylpyrrolidine
CID 154977328
N-(azetidin-3-ylmethyl)hexan-1-amine
CID 175786912
(3S,3aR,6R,6aR)-3-(decylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 78426170
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
N-tetradecyloxiran-2-amine
CID 19419381

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-N-hexylpyrrolidin-3-amine (CID 54189504) is 4-fluoro-N-hexylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-N-hexylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-N-hexylpyrrolidin-3-amine is CCCCCCNC1CNCC1F.
What is the InChIKey of 4-fluoro-N-hexylpyrrolidin-3-amine?
The InChIKey is KRUSGYLBBPAYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-2-3-4-5-6-13-10-8-12-7-9(10)11/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 4-fluoro-N-hexylpyrrolidin-3-amine?
4-fluoro-N-hexylpyrrolidin-3-amine has a molecular weight of 188.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexylpyrrolidin-3-amine is sourced from PubChem (CID 54189504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).