1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine

C17H30BrN3 — CID 104802996

IUPAC1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1ccc(Br)cn1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H30BrN3/c1-6-11-19-16(17(7-2,8-3)21(4)5)12-15-10-9-14(18)13-20-15/h9-10,13,16,19H,6-8,11-12H2,1-5H3
InChIKeyDPGUKTZSXUFLHK-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.88
Rot. Bonds9

About 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine

1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine (PubChem CID 104802996) has the molecular formula C17H30BrN3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
PubChem CID104802996
Molecular FormulaC17H30BrN3
Molecular Weight356.35 g/mol
Exact Mass355.16
IUPAC Name1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1ccc(Br)cn1)C(CC)(CC)N(C)C
InChIInChI=1S/C17H30BrN3/c1-6-11-19-16(17(7-2,8-3)21(4)5)12-15-10-9-14(18)13-20-15/h9-10,13,16,19H,6-8,11-12H2,1-5H3
InChIKeyDPGUKTZSXUFLHK-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-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine with MolForge

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Related Compounds

3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
3-ethyl-3-N,3-N-dimethyl-2-N-propyl-1-(1,3-thiazol-2-yl)pentane-2,3-diamine
CID 79824834
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
N-[2-(5-bromo-2-pyridinyl)-1-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 104802222
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine (CID 104802996) is 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine is CCCNC(Cc1ccc(Br)cn1)C(CC)(CC)N(C)C.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine?
The InChIKey is DPGUKTZSXUFLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrN3/c1-6-11-19-16(17(7-2,8-3)21(4)5)12-15-10-9-14(18)13-20-15/h9-10,13,16,19H,6-8,11-12H2,1-5H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine?
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-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-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine is sourced from PubChem (CID 104802996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).