5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

C11H18F2N2 — CID 165456527

IUPAC5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1C=C(CC2CCC(F)(F)C2)CNC1
InChIInChI=1S/C11H18F2N2/c12-11(13)2-1-8(5-11)3-9-4-10(14)7-15-6-9/h4,8,10,15H,1-3,5-7,14H2
InChIKeyFNOGBIFBDBWRQP-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.67
Rot. Bonds2

About 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine

5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (PubChem CID 165456527) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.

Molecular Properties

Compound Name5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
PubChem CID165456527
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine
SMILESNC1C=C(CC2CCC(F)(F)C2)CNC1
InChIInChI=1S/C11H18F2N2/c12-11(13)2-1-8(5-11)3-9-4-10(14)7-15-6-9/h4,8,10,15H,1-3,5-7,14H2
InChIKeyFNOGBIFBDBWRQP-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-[(4R)-4-(trifluoromethyl)cyclohepten-1-yl]pyrrolidine
CID 163485821
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
(E)-2-N-[2-(4-amino-3a,6,7,7a-tetrahydro-1H-indol-3-yl)ethyl]-5,5,5-trifluoropent-3-ene-2,3-diamine
CID 163743201
(2S)-1-N-[[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]pentane-1,2,5-triamine
CID 163878228
2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
CID 176943362
N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
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N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757851
N-[2-(cyclohexen-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759199
3-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894764
1-(cyclohexen-1-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309656
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103309657

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The IUPAC name of 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine (CID 165456527) is 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine.
What is the SMILES notation for 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The canonical SMILES for 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is NC1C=C(CC2CCC(F)(F)C2)CNC1.
What is the InChIKey of 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
The InChIKey is FNOGBIFBDBWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c12-11(13)2-1-8(5-11)3-9-4-10(14)7-15-6-9/h4,8,10,15H,1-3,5-7,14H2.
What are the key properties of 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine?
5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine has a molecular weight of 216.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclopentyl)methyl]-1,2,3,6-tetrahydropyridin-3-amine is sourced from PubChem (CID 165456527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).