N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine

C13H19BrN2 — CID 115622615

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)cn1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)8-16(13-5-6-13)9-12-4-3-11(14)7-15-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCFEFBFGOCATSDD-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.46
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine

N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine (PubChem CID 115622615) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
PubChem CID115622615
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(Cc1ccc(Br)cn1)C1CC1
InChIInChI=1S/C13H19BrN2/c1-10(2)8-16(13-5-6-13)9-12-4-3-11(14)7-15-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCFEFBFGOCATSDD-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-(2-methylpropyl)cyclopropanamine
CID 60733586
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 115622551
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
2-[(5-bromo-2-pyridinyl)methyl-cyclohexylamino]ethanol
CID 113239605
5-bromo-N-cyclopropyl-N-(3-methylbutyl)pyridin-2-amine
CID 78974449
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetic acid
CID 113394093
2-[(5-bromo-2-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113234633
N-[(5-bromo-2-pyridinyl)methyl]-N,4-dimethylpentan-2-amine
CID 115622616
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-4-amine
CID 79245128

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine (CID 115622615) is N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(Cc1ccc(Br)cn1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is CFEFBFGOCATSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10(2)8-16(13-5-6-13)9-12-4-3-11(14)7-15-12/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine?
N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 283.21 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 115622615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).