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

C14H19BrN2 — CID 102641151

IUPACN-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1cncc(Br)c1
InChIInChI=1S/C14H19BrN2/c1-3-14(2,10-17-13-4-5-13)7-11-6-12(15)9-16-8-11/h3,6,8-9,13,17H,1,4-5,7,10H2,2H3
InChIKeyBRELMAHSOUXDRN-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.33
Rot. Bonds6

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

N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (PubChem CID 102641151) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
PubChem CID102641151
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC NameN-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
SMILESC=CC(C)(CNC1CC1)Cc1cncc(Br)c1
InChIInChI=1S/C14H19BrN2/c1-3-14(2,10-17-13-4-5-13)7-11-6-12(15)9-16-8-11/h3,6,8-9,13,17H,1,4-5,7,10H2,2H3
InChIKeyBRELMAHSOUXDRN-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

N-[2-[(5-bromo-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641258
N-[2-(furan-3-ylmethyl)-2-methylbut-3-enyl]cyclopropanamine
CID 102641139
N-[2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641210
N-[2-[(2-bromo-5-methoxyphenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641215
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 106271907
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641182
tert-butyl N-[4-[(5-bromo-3-pyridinyl)methylamino]cyclohexyl]carbamate
CID 104856976
N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641130
3-(5-bromo-3-pyridinyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 104810566
N-[2-methyl-2-[(2-methyltetrazol-5-yl)methyl]but-3-enyl]cyclopropanamine
CID 107053624

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine (CID 102641151) is N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is C=CC(C)(CNC1CC1)Cc1cncc(Br)c1.
What is the InChIKey of N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
The InChIKey is BRELMAHSOUXDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-3-14(2,10-17-13-4-5-13)7-11-6-12(15)9-16-8-11/h3,6,8-9,13,17H,1,4-5,7,10H2,2H3.
What are the key properties of N-[2-[(5-bromo-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine?
N-[2-[(5-bromo-3-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-3-pyridinyl)methyl]-2-methylbut-3-enyl]cyclopropanamine is sourced from PubChem (CID 102641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).