N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine

C17H26FN3 — CID 105389902

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CC3CCC2C3)c1F
InChIInChI=1S/C17H26FN3/c1-3-19-10-14-6-7-20-17(16(14)18)21(2)11-15-9-12-4-5-13(15)8-12/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyAQYMSFKULPHVBJ-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.20
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105389902) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
PubChem CID105389902
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CC3CCC2C3)c1F
InChIInChI=1S/C17H26FN3/c1-3-19-10-14-6-7-20-17(16(14)18)21(2)11-15-9-12-4-5-13(15)8-12/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3
InChIKeyAQYMSFKULPHVBJ-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382343
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N,2-dimethylpyridin-4-amine
CID 81253943
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 63683088
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-(ethylaminomethyl)-N-methylpyrazin-2-amine
CID 107380276
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139
4-[(tert-butylamino)methyl]-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 105386398

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine (CID 105389902) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine is CCNCc1ccnc(N(C)CC2CC3CCC2C3)c1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is AQYMSFKULPHVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-3-19-10-14-6-7-20-17(16(14)18)21(2)11-15-9-12-4-5-13(15)8-12/h6-7,12-13,15,19H,3-5,8-11H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 291.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).