5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine

C15H24ClN3 — CID 114925867

IUPAC5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3/c1-3-7-19(11-12-5-6-12)15-8-13(9-17-4-2)14(16)10-18-15/h8,10,12,17H,3-7,9,11H2,1-2H3
InChIKeyUPJXYFASUBVMFO-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.47
Rot. Bonds8

About 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine

5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine (PubChem CID 114925867) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
PubChem CID114925867
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
SMILESCCCN(CC1CC1)c1cc(CNCC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3/c1-3-7-19(11-12-5-6-12)15-8-13(9-17-4-2)14(16)10-18-15/h8,10,12,17H,3-7,9,11H2,1-2H3
InChIKeyUPJXYFASUBVMFO-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107401902
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107401854
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-chloro-4-[(cyclopropylamino)methyl]-N-prop-2-enyl-N-propylpyridin-2-amine
CID 114926899
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
[5-[cyclopropylmethyl(propyl)amino]pyrazin-2-yl]methanol
CID 107372763
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
5-chloro-N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 114926105

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine (CID 114925867) is 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine is CCCN(CC1CC1)c1cc(CNCC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine?
The InChIKey is UPJXYFASUBVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-3-7-19(11-12-5-6-12)15-8-13(9-17-4-2)14(16)10-18-15/h8,10,12,17H,3-7,9,11H2,1-2H3.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine?
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine has a molecular weight of 281.83 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 114925867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).