N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine

C15H25N3 — CID 62278694

IUPACN-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
SMILESCCC(C)N(CC)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C15H25N3/c1-4-12(3)18(5-2)15-9-6-13(11-17-15)10-16-14-7-8-14/h6,9,11-12,14,16H,4-5,7-8,10H2,1-3H3
InChIKeyJXORDZBBPAZIPY-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.96
Rot. Bonds7

About N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine

N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine (PubChem CID 62278694) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
PubChem CID62278694
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
SMILESCCC(C)N(CC)c1ccc(CNC2CC2)cn1
InChIInChI=1S/C15H25N3/c1-4-12(3)18(5-2)15-9-6-13(11-17-15)10-16-14-7-8-14/h6,9,11-12,14,16H,4-5,7-8,10H2,1-3H3
InChIKeyJXORDZBBPAZIPY-UHFFFAOYSA-N
XLogP2.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62280084
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63940452
N-cyclopentyl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 62281128
[6-[butan-2-yl(ethyl)amino]-3-pyridinyl]methanol
CID 61257475
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107399965
5-[(cyclopropylamino)methyl]-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62283732
N-[(4-bromophenyl)methyl]-5-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62287672
5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112662259
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 63692128
3-[[5-[(cyclopropylamino)methyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106916818
5-[(cyclopropylamino)methyl]-N-methyl-N-phenylpyridin-2-amine
CID 62285256

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine (CID 62278694) is N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine is CCC(C)N(CC)c1ccc(CNC2CC2)cn1.
What is the InChIKey of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
The InChIKey is JXORDZBBPAZIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-12(3)18(5-2)15-9-6-13(11-17-15)10-16-14-7-8-14/h6,9,11-12,14,16H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine?
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62278694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).