1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine

C11H18BrN3 — CID 107159318

IUPAC1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)5-9(13)6-15-11-3-4-14-7-10(11)12/h3-4,7-9H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyHKECMFYVEIGXGS-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.63
Rot. Bonds5

About 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine

1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine (PubChem CID 107159318) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
PubChem CID107159318
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNc1ccncc1Br
InChIInChI=1S/C11H18BrN3/c1-8(2)5-9(13)6-15-11-3-4-14-7-10(11)12/h3-4,7-9H,5-6,13H2,1-2H3,(H,14,15)
InChIKeyHKECMFYVEIGXGS-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
CID 104777519
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110
1-N-(3,5-dibromo-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159277
1-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159322
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
1-N-(5-bromoisoquinolin-1-yl)-4-methylpentane-1,2-diamine
CID 107159352
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
4-methyl-1-N-(5-methylpyrimidin-2-yl)pentane-1,2-diamine
CID 107159425
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
4-methyl-1-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 107159362

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine (CID 107159318) is 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNc1ccncc1Br.
What is the InChIKey of 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine?
The InChIKey is HKECMFYVEIGXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-8(2)5-9(13)6-15-11-3-4-14-7-10(11)12/h3-4,7-9H,5-6,13H2,1-2H3,(H,14,15).
What are the key properties of 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine?
1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine has a molecular weight of 272.19 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 107159318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).