N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine

C12H17BrN2 — CID 115611852

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C12H17BrN2/c1-2-5-15(12-3-4-12)9-10-6-11(13)8-14-7-10/h6-8,12H,2-5,9H2,1H3
InChIKeyLXXSZIUAVOHBQQ-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine

N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine (PubChem CID 115611852) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
PubChem CID115611852
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C12H17BrN2/c1-2-5-15(12-3-4-12)9-10-6-11(13)8-14-7-10/h6-8,12H,2-5,9H2,1H3
InChIKeyLXXSZIUAVOHBQQ-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102848808
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
2-[[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]methyl]aniline
CID 104798300
N-[(5-bromo-3-pyridinyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 113240627
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
4-N-[(3,5-dichlorophenyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 79112363
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine (CID 115611852) is N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine is CCCN(Cc1cncc(Br)c1)C1CC1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine?
The InChIKey is LXXSZIUAVOHBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-5-15(12-3-4-12)9-10-6-11(13)8-14-7-10/h6-8,12H,2-5,9H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine?
N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine has a molecular weight of 269.19 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 115611852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).