1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine

C17H30BrN3 — CID 104803000

IUPAC1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(Cc1cncc(Br)c1)NC
InChIInChI=1S/C17H30BrN3/c1-6-17(7-2,21(8-3)9-4)16(19-5)11-14-10-15(18)13-20-12-14/h10,12-13,16,19H,6-9,11H2,1-5H3
InChIKeyPUXCSDMLKBXEET-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.88
Rot. Bonds9

About 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine

1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine (PubChem CID 104803000) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
PubChem CID104803000
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine
SMILESCCN(CC)C(CC)(CC)C(Cc1cncc(Br)c1)NC
InChIInChI=1S/C17H30BrN3/c1-6-17(7-2,21(8-3)9-4)16(19-5)11-14-10-15(18)13-20-12-14/h10,12-13,16,19H,6-9,11H2,1-5H3
InChIKeyPUXCSDMLKBXEET-UHFFFAOYSA-N
XLogP3.88
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine with MolForge

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Related Compounds

4-(5-bromo-3-pyridinyl)-N,N-diethyl-3-hydrazinyl-2-methylbutan-2-amine
CID 105239177
1-(5-bromo-3-pyridinyl)-2-N,3-N,3-N-triethyl-3-methylpentane-2,3-diamine
CID 104802945
3-(azepan-1-yl)-1-(5-bromo-3-pyridinyl)-N,3-dimethylbutan-2-amine
CID 104802920
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 104802978
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024
3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
1-(5-bromo-3-pyridinyl)-3-methoxy-3-methyl-N-propylpentan-2-amine
CID 116758395

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine (CID 104803000) is 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine is CCN(CC)C(CC)(CC)C(Cc1cncc(Br)c1)NC.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine?
The InChIKey is PUXCSDMLKBXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-6-17(7-2,21(8-3)9-4)16(19-5)11-14-10-15(18)13-20-12-14/h10,12-13,16,19H,6-9,11H2,1-5H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine?
1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine has a molecular weight of 356.35 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-N,3-N,3-triethyl-2-N-methylpentane-2,3-diamine is sourced from PubChem (CID 104803000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).