N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine

C17H26ClN3 — CID 63683088

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)CC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-3-19-9-13-8-16(18)17(20-10-13)21(2)11-15-7-12-4-5-14(15)6-12/h8,10,12,14-15,19H,3-7,9,11H2,1-2H3
InChIKeyPRABKMNJMRGQJM-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.72
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine (PubChem CID 63683088) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
PubChem CID63683088
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)CC2CC3CCC2C3)c(Cl)c1
InChIInChI=1S/C17H26ClN3/c1-3-19-9-13-8-16(18)17(20-10-13)21(2)11-15-7-12-4-5-14(15)6-12/h8,10,12,14-15,19H,3-7,9,11H2,1-2H3
InChIKeyPRABKMNJMRGQJM-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[[2-(4-Chlorophenyl)ethylamino]methyl]phenyl]-3-methylpyridin-2-amine;hydrochloride
CID 44532066
1-(5-chloro-2-pyridyl)-3-[(2R)-2-phenylpropyl]thiourea
CID 3008813
1-(5-chloro-2-pyridyl)-3-[(2S)-2-phenylpropyl]thiourea
CID 3008814
1-(5-chloro-2-pyridyl)-3-[(2R)-2-cyclohexylpropyl]thiourea
CID 3008849
1-(5-chloro-2-pyridyl)-3-[(2S)-2-cyclohexylpropyl]thiourea
CID 3008850
5-chloro-N-(2-phenylethyl)pyridin-2-amine
CID 13774742
Cambridge id 7167843
CID 3817673
1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 11689261
3-chloro-N-(2-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 22629934
3-chloro-N-(1-phenylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080733
3-chloro-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43215333
3-chloro-N-(cyclopentylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43317119

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine (CID 63683088) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine is CCNCc1cnc(N(C)CC2CC3CCC2C3)c(Cl)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
The InChIKey is PRABKMNJMRGQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-3-19-9-13-8-16(18)17(20-10-13)21(2)11-15-7-12-4-5-14(15)6-12/h8,10,12,14-15,19H,3-7,9,11H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine has a molecular weight of 307.87 g/mol, XLogP of 3.72, 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)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 63683088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).