5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine

C17H30FN3 — CID 167204973

IUPAC5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine
SMILESC/C=C(/CCN(C(C)C)C(C)CC)C1=C(N)NCC(F)=C1
InChIInChI=1S/C17H30FN3/c1-6-13(5)21(12(3)4)9-8-14(7-2)16-10-15(18)11-20-17(16)19/h7,10,12-13,20H,6,8-9,11,19H2,1-5H3/b14-7-
InChIKeyIPUQCRLWGJOBMY-AUWJEWJLSA-N
MW295.45 g/mol
LogP3.46
Rot. Bonds7

About 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine

5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine (PubChem CID 167204973) has the molecular formula C17H30FN3 and a molecular weight of 295.45 g/mol. Its IUPAC name is 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine
PubChem CID167204973
Molecular FormulaC17H30FN3
Molecular Weight295.45 g/mol
Exact Mass295.24
IUPAC Name5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine
SMILESC/C=C(/CCN(C(C)C)C(C)CC)C1=C(N)NCC(F)=C1
InChIInChI=1S/C17H30FN3/c1-6-13(5)21(12(3)4)9-8-14(7-2)16-10-15(18)11-20-17(16)19/h7,10,12-13,20H,6,8-9,11,19H2,1-5H3/b14-7-
InChIKeyIPUQCRLWGJOBMY-AUWJEWJLSA-N
XLogP3.46
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(5-fluoro-1,2,4-trimethyl-2H-pyridin-3-yl)-N-methylprop-1-en-1-amine
CID 129132261
3-[(3E)-8-amino-4-fluoro-3-(1-fluoroethyl)octa-1,3-dienyl]-5-(aminomethyl)-1-methyl-2H-pyridin-6-amine
CID 138718913
(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
CID 146333372
1-N'-[1-[(6Z)-6-[(3Z,4Z)-3-ethylidenehepta-4,6-dienylidene]-4-fluoro-5-methylidenecyclohexa-1,3-dien-1-yl]ethenyl]propane-1,1-diamine
CID 156075533
(1E,3Z)-4-(aminomethyl)-5-N'-(1-aminopropan-2-yl)-2-fluorohepta-1,3-diene-1,5,5-triamine
CID 156372369
6-fluoro-N,2-dimethyl-3,4,7,8-tetrahydro-1H-isoquinolin-7-amine
CID 166951480
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259
1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine
CID 174362794
3-[(3E,5Z)-7-fluoro-6-methylocta-3,5-dien-3-yl]-N-methyl-N-(3-methylbutyl)-1,2-dihydropyridin-6-amine
CID 144415134
(7Z,9E)-9-fluoro-1,2,12-trimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-diazacyclododeca-5,7,9-triene
CID 153380018
3-ethyl-6-[4-[[(2R)-2-fluorobutyl]amino]butyl]-N-methyl-1,2-dihydropyridin-2-amine
CID 176962601
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine?
The IUPAC name of 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine (CID 167204973) is 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine?
The canonical SMILES for 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine is C/C=C(/CCN(C(C)C)C(C)CC)C1=C(N)NCC(F)=C1.
What is the InChIKey of 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine?
The InChIKey is IPUQCRLWGJOBMY-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H30FN3/c1-6-13(5)21(12(3)4)9-8-14(7-2)16-10-15(18)11-20-17(16)19/h7,10,12-13,20H,6,8-9,11,19H2,1-5H3/b14-7-.
What are the key properties of 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine?
5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine has a molecular weight of 295.45 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-5-[butan-2-yl(propan-2-yl)amino]pent-2-en-3-yl]-3-fluoro-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 167204973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).