2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

C9H16F2N2 — CID 130600975

IUPAC2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CCCN(CC(F)(F)CN)C1
InChIInChI=1S/C9H16F2N2/c1-8-3-2-4-13(5-8)7-9(10,11)6-12/h3H,2,4-7,12H2,1H3
InChIKeyNRKLEAHPHZTWRM-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.23
Rot. Bonds3

About 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine

2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (PubChem CID 130600975) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
PubChem CID130600975
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
SMILESCC1=CCCN(CC(F)(F)CN)C1
InChIInChI=1S/C9H16F2N2/c1-8-3-2-4-13(5-8)7-9(10,11)6-12/h3H,2,4-7,12H2,1H3
InChIKeyNRKLEAHPHZTWRM-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 117205554
[1,6-dimethyl-4-(trifluoromethyl)-2H-pyridin-3-yl]methanamine
CID 140313167
ethane;4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 156737198
ethane;5-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 176934501
3,3,3-trifluoro-2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]propan-1-amine
CID 103366475
fluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105428659
difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 105431839
2,2-difluoro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
CID 105436441
2,2,2-trifluoro-N-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]ethanamine
CID 106314826
4,4,4-trifluoro-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591609
N-propan-2-yl-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 113591661
6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-amine
CID 113591674

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine (CID 130600975) is 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is CC1=CCCN(CC(F)(F)CN)C1.
What is the InChIKey of 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
The InChIKey is NRKLEAHPHZTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-8-3-2-4-13(5-8)7-9(10,11)6-12/h3H,2,4-7,12H2,1H3.
What are the key properties of 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine?
2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine has a molecular weight of 190.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine is sourced from PubChem (CID 130600975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).