5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine

C16H24ClN3 — CID 107401902

IUPAC5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3/c1-2-20(11-12-4-3-5-12)16-8-13(15(17)10-19-16)9-18-14-6-7-14/h8,10,12,14,18H,2-7,9,11H2,1H3
InChIKeyFRHLLTSXOBKTLE-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.61
Rot. Bonds7

About 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine

5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine (PubChem CID 107401902) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
PubChem CID107401902
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3/c1-2-20(11-12-4-3-5-12)16-8-13(15(17)10-19-16)9-18-14-6-7-14/h8,10,12,14,18H,2-7,9,11H2,1H3
InChIKeyFRHLLTSXOBKTLE-UHFFFAOYSA-N
XLogP3.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107399965
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401850
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine (CID 107401902) is 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine is CCN(CC1CCC1)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The InChIKey is FRHLLTSXOBKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-2-20(11-12-4-3-5-12)16-8-13(15(17)10-19-16)9-18-14-6-7-14/h8,10,12,14,18H,2-7,9,11H2,1H3.
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine has a molecular weight of 293.84 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 107401902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).