N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

C11H18BrN3 — CID 106878743

IUPACN'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccnc(N(CCN)C(C)C)c1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)15(7-5-13)11-10(12)9(3)4-6-14-11/h4,6,8H,5,7,13H2,1-3H3
InChIKeyLKDXHUNTEWBUKQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.33
Rot. Bonds4

About N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine

N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 106878743) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID106878743
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC NameN'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCc1ccnc(N(CCN)C(C)C)c1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)15(7-5-13)11-10(12)9(3)4-6-14-11/h4,6,8H,5,7,13H2,1-3H3
InChIKeyLKDXHUNTEWBUKQ-UHFFFAOYSA-N
XLogP2.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine (CID 106878743) is N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is Cc1ccnc(N(CCN)C(C)C)c1Br.
What is the InChIKey of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is LKDXHUNTEWBUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)15(7-5-13)11-10(12)9(3)4-6-14-11/h4,6,8H,5,7,13H2,1-3H3.
What are the key properties of N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine?
N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).