(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine

C9H17FN2 — CID 131185822

IUPAC(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CCC=C(F)C1
InChIInChI=1S/C9H17FN2/c1-8(11-2)6-12-5-3-4-9(10)7-12/h4,8,11H,3,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXMZRITLVXUXPNZ-QMMMGPOBSA-N
MW172.25 g/mol
LogP1.15
Rot. Bonds3

About (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine

(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine (PubChem CID 131185822) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine
PubChem CID131185822
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CCC=C(F)C1
InChIInChI=1S/C9H17FN2/c1-8(11-2)6-12-5-3-4-9(10)7-12/h4,8,11H,3,5-7H2,1-2H3/t8-/m0/s1
InChIKeyXMZRITLVXUXPNZ-QMMMGPOBSA-N
XLogP1.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine
CID 139323857
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
N'-ethyl-N'-(2-fluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylethane-1,2-diamine
CID 143181566
N-[(E)-4-fluorohex-4-en-3-yl]-N'-methyl-N'-propylethane-1,2-diamine
CID 163503304
(2S)-1-N-[(4R)-4-fluorocyclohex-2-en-1-yl]-2-N-methylbutane-1,2-diamine
CID 170133644
1-N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-2-N,2-N-diethylpropane-1,2-diamine
CID 173219290
N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-diethylethane-1,2-diamine
CID 173219357
N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine
CID 173219378
(2S,5R)-N-(2-fluoropropyl)-1,2,5-trimethyl-2,5-dihydropyrrol-3-amine
CID 174021359
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine (CID 131185822) is (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine is CN[C@@H](C)CN1CCC=C(F)C1.
What is the InChIKey of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine?
The InChIKey is XMZRITLVXUXPNZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17FN2/c1-8(11-2)6-12-5-3-4-9(10)7-12/h4,8,11H,3,5-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine?
(2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine has a molecular weight of 172.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 131185822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).