N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine

C14H19BrN2 — CID 102641258

IUPACN-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN2/c1-3-14(2,10-17-12-6-7-12)8-13-5-4-11(15)9-16-13/h3-5,9,12,17H,1,6-8,10H2,2H3
InChIKeyNGAUKKHUQZTVTQ-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.33
Rot. Bonds6

About N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine

N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641258) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641258
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN2/c1-3-14(2,10-17-12-6-7-12)8-13-5-4-11(15)9-16-13/h3-5,9,12,17H,1,6-8,10H2,2H3
InChIKeyNGAUKKHUQZTVTQ-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641763
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 106271907
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215
N-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641228
N-[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641277
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 104813879
N-(2-ethenyl-2-methylhexyl)cyclopropanamine
CID 102641141
2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 104810948
1-[(5-bromo-2-pyridinyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 104813045

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (CID 102641258) is N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1ccc(Br)cn1.
What is the InChIKey of N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is NGAUKKHUQZTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-3-14(2,10-17-12-6-7-12)8-13-5-4-11(15)9-16-13/h3-5,9,12,17H,1,6-8,10H2,2H3.
What are the key properties of N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine has a molecular weight of 295.22 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).