3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine

C14H24BrN3 — CID 62285020

IUPAC3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine
SMILESCCCCN(c1ncc(Br)cc1CN)C(C)CC
InChIInChI=1S/C14H24BrN3/c1-4-6-7-18(11(3)5-2)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9,16H2,1-3H3
InChIKeyUVTJDXSXOSKYJG-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.71
Rot. Bonds7

About 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine

3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine (PubChem CID 62285020) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine
PubChem CID62285020
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine
SMILESCCCCN(c1ncc(Br)cc1CN)C(C)CC
InChIInChI=1S/C14H24BrN3/c1-4-6-7-18(11(3)5-2)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9,16H2,1-3H3
InChIKeyUVTJDXSXOSKYJG-UHFFFAOYSA-N
XLogP3.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-bromo-N-butyl-N-methylpyridin-2-amine
CID 62299284
3-(aminomethyl)-5-bromo-N-butyl-N-phenylpyridin-2-amine
CID 64584277
5-bromo-3-(chloromethyl)-N-pentyl-N-propan-2-ylpyridin-2-amine
CID 63446077
5-bromo-N-butan-2-yl-3-(chloromethyl)-N-ethylpyridin-2-amine
CID 62000746
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284304
3-(aminomethyl)-5-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55055076
5-amino-2-[butan-2-yl(butyl)amino]pyridine-3-carbonitrile
CID 55005204
4-N-butan-2-yl-4-N-butylpyrimidine-4,5-diamine
CID 79915760
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
3-(aminomethyl)-5-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984905
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine (CID 62285020) is 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine is CCCCN(c1ncc(Br)cc1CN)C(C)CC.
What is the InChIKey of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine?
The InChIKey is UVTJDXSXOSKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-4-6-7-18(11(3)5-2)14-12(9-16)8-13(15)10-17-14/h8,10-11H,4-7,9,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine?
3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine has a molecular weight of 314.27 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-bromo-N-butan-2-yl-N-butylpyridin-2-amine is sourced from PubChem (CID 62285020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).