N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C11H18BrN3 — CID 62642737

IUPACN-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c1-9(2)15(3)8-7-14-11-10(12)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,13,14)
InChIKeyQJHNVRSEVCEMFW-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.60
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62642737) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62642737
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNc1ncccc1Br
InChIInChI=1S/C11H18BrN3/c1-9(2)15(3)8-7-14-11-10(12)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,13,14)
InChIKeyQJHNVRSEVCEMFW-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromo-2-pyridinyl)amino]pentan-2-ol
CID 106128835
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830
3-bromo-N-(3-chloro-4-methoxybutyl)pyridin-2-amine
CID 106242892
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
CID 62641127
2-[(3-bromo-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 61375232
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 62642737) is N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is QJHNVRSEVCEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-9(2)15(3)8-7-14-11-10(12)5-4-6-13-11/h4-6,9H,7-8H2,1-3H3,(H,13,14).
What are the key properties of N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62642737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).