(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine

C9H17FN2 — CID 174021369

IUPAC(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine
SMILESCC(F)CNC1=C[C@H](C)N[C@H]1C
InChIInChI=1S/C9H17FN2/c1-6(10)5-11-9-4-7(2)12-8(9)3/h4,6-8,11-12H,5H2,1-3H3/t6?,7-,8-/m0/s1
InChIKeyYFHCBUVBTNFQSY-ALKRTJFJSA-N
MW172.25 g/mol
LogP1.20
Rot. Bonds3

About (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine

(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine (PubChem CID 174021369) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine.

Molecular Properties

Compound Name(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine
PubChem CID174021369
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine
SMILESCC(F)CNC1=C[C@H](C)N[C@H]1C
InChIInChI=1S/C9H17FN2/c1-6(10)5-11-9-4-7(2)12-8(9)3/h4,6-8,11-12H,5H2,1-3H3/t6?,7-,8-/m0/s1
InChIKeyYFHCBUVBTNFQSY-ALKRTJFJSA-N
XLogP1.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3-Fluoropyrrolidin-1-yl)methyl]-2-methyl-1,2-dihydropyridine
CID 90305531
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
CID 134424280
(2Z,4Z)-2-fluoro-N-propan-2-ylhepta-2,4-dien-4-amine
CID 138463037
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-(2-aminoethyl)-N'-[(3E)-2-fluorohepta-1,3-dien-4-yl]butane-1,4-diamine
CID 155072707
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
N-[1-[3-(trifluoromethyl)-1,2-dihydropyridin-6-yl]ethyl]propan-2-amine
CID 166976401
(3R)-N-ethenyl-4-fluoro-2,3,6,7-tetrahydro-1H-azepin-3-amine
CID 169606424
(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
CID 174021359

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine?
The IUPAC name of (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine (CID 174021369) is (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine.
What is the SMILES notation for (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine?
The canonical SMILES for (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine is CC(F)CNC1=C[C@H](C)N[C@H]1C.
What is the InChIKey of (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine?
The InChIKey is YFHCBUVBTNFQSY-ALKRTJFJSA-N. The full InChI is InChI=1S/C9H17FN2/c1-6(10)5-11-9-4-7(2)12-8(9)3/h4,6-8,11-12H,5H2,1-3H3/t6?,7-,8-/m0/s1.
What are the key properties of (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine?
(2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine has a molecular weight of 172.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-(2-fluoropropyl)-2,5-dimethyl-2,5-dihydro-1H-pyrrol-3-amine is sourced from PubChem (CID 174021369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).