(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine

C10H19FN2 — CID 174021359

IUPAC(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
SMILESCC(F)CNC1=C[C@@H](C)N(C)[C@H]1C
InChIInChI=1S/C10H19FN2/c1-7(11)6-12-10-5-8(2)13(4)9(10)3/h5,7-9,12H,6H2,1-4H3/t7?,8-,9+/m1/s1
InChIKeyQYDLZFBOGGXVJP-ASODMVGOSA-N
MW186.27 g/mol
LogP1.54
Rot. Bonds3

About (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine

(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine (PubChem CID 174021359) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine.

Molecular Properties

Compound Name(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
PubChem CID174021359
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
SMILESCC(F)CNC1=C[C@@H](C)N(C)[C@H]1C
InChIInChI=1S/C10H19FN2/c1-7(11)6-12-10-5-8(2)13(4)9(10)3/h5,7-9,12H,6H2,1-4H3/t7?,8-,9+/m1/s1
InChIKeyQYDLZFBOGGXVJP-ASODMVGOSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
CID 134424280
2-fluoro-1-N-methyl-1-N-[2-(methylamino)ethyl]cyclohepta-2,4,7-triene-1,4-diamine
CID 143599143
N'-[(E)-1-fluorohex-2-en-3-yl]-N-[(3S)-pyrrolidin-3-yl]butane-1,4-diamine
CID 155072621
N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 163503304
(1Z)-2-N-(4-fluorocyclohepta-1,5-dien-1-yl)-2-N-methyl-1-N-propan-2-ylbuta-1,3-diene-1,2,3-triamine
CID 163685226
1-(1,2-Dimethyl-2,3-dihydropyrrol-5-yl)-2,2,2-trifluoroethanamine
CID 164038418
(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine
CID 174021369
(2R,5R)-N-(2-fluoropropyl)-1-iodo-2,5-dimethyl-2,5-dihydropyrrol-3-amine
CID 174021370
(2S,5R)-N-(2-fluoroethyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
CID 174021371
(2S,5R)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine
CID 174021373

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine?
The IUPAC name of (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine (CID 174021359) is (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine.
What is the SMILES notation for (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine?
The canonical SMILES for (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine is CC(F)CNC1=C[C@@H](C)N(C)[C@H]1C.
What is the InChIKey of (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine?
The InChIKey is QYDLZFBOGGXVJP-ASODMVGOSA-N. The full InChI is InChI=1S/C10H19FN2/c1-7(11)6-12-10-5-8(2)13(4)9(10)3/h5,7-9,12H,6H2,1-4H3/t7?,8-,9+/m1/s1.
What are the key properties of (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine?
(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine has a molecular weight of 186.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine is sourced from PubChem (CID 174021359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).