5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine

C14H22BrN3O — CID 62282728

IUPAC5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(Br)cc1CNC
InChIInChI=1S/C14H22BrN3O/c1-3-18(10-13-5-4-6-19-13)14-11(8-16-2)7-12(15)9-17-14/h7,9,13,16H,3-6,8,10H2,1-2H3
InChIKeyRCCUSZSFEMQVOV-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.57
Rot. Bonds6

About 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine

5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 62282728) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID62282728
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(Br)cc1CNC
InChIInChI=1S/C14H22BrN3O/c1-3-18(10-13-5-4-6-19-13)14-11(8-16-2)7-12(15)9-17-14/h7,9,13,16H,3-6,8,10H2,1-2H3
InChIKeyRCCUSZSFEMQVOV-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62295126
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
N-ethyl-2,6-difluoro-4-(methylaminomethyl)-N-(oxolan-2-ylmethyl)aniline
CID 63076269
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
5-bromo-N-methyl-3-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63708110
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 62282728) is 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is CCN(CC1CCCO1)c1ncc(Br)cc1CNC.
What is the InChIKey of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is RCCUSZSFEMQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-18(10-13-5-4-6-19-13)14-11(8-16-2)7-12(15)9-17-14/h7,9,13,16H,3-6,8,10H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine?
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 328.25 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62282728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).