N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine

C14H19ClN2 — CID 43098628

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
SMILESCC(Nc1ccc(Cl)cn1)C1CC2CCC1C2
InChIInChI=1S/C14H19ClN2/c1-9(13-7-10-2-3-11(13)6-10)17-14-5-4-12(15)8-16-14/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyVLRNCJNUEIZOEV-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.97
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine (PubChem CID 43098628) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
PubChem CID43098628
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
SMILESCC(Nc1ccc(Cl)cn1)C1CC2CCC1C2
InChIInChI=1S/C14H19ClN2/c1-9(13-7-10-2-3-11(13)6-10)17-14-5-4-12(15)8-16-14/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyVLRNCJNUEIZOEV-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 79764561
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
CID 114869144
5-chloro-N-(1-cyclohexylethyl)pyridin-2-amine
CID 62406315
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
2-amino-N-[5-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-pyridinyl]acetamide
CID 82034085
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-chlorobenzoic acid
CID 63512018
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-fluoropyridin-2-amine
CID 61227813
2-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43261074
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43104674

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine (CID 43098628) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine is CC(Nc1ccc(Cl)cn1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine?
The InChIKey is VLRNCJNUEIZOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-9(13-7-10-2-3-11(13)6-10)17-14-5-4-12(15)8-16-14/h4-5,8-11,13H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine has a molecular weight of 250.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 43098628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).