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

C14H21BrN2O — CID 55058832

IUPACN-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCCCCCOc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H21BrN2O/c1-2-3-4-7-18-14-11(8-12(15)10-17-14)9-16-13-5-6-13/h8,10,13,16H,2-7,9H2,1H3
InChIKeyMIEBOWNDDLJCMH-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.67
Rot. Bonds8

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

N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 55058832) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID55058832
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCCCCCOc1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H21BrN2O/c1-2-3-4-7-18-14-11(8-12(15)10-17-14)9-16-13-5-6-13/h8,10,13,16H,2-7,9H2,1H3
InChIKeyMIEBOWNDDLJCMH-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-bromo-2-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 62298219
N-[[5-bromo-2-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62292011
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297369
N-[[5-bromo-2-(4-methylcyclohexyl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 62290492
N-[[5-bromo-2-(2-piperidin-1-ylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297872
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292572
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
N-[[5-bromo-2-(3-bromophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323752
N-[[5-bromo-2-(oxolan-3-ylmethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323498
N-[[5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]-3-pyridinyl]methyl]cyclopropanamine
CID 81341298

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine (CID 55058832) is N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine is CCCCCOc1ncc(Br)cc1CNC1CC1.
What is the InChIKey of N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is MIEBOWNDDLJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-3-4-7-18-14-11(8-12(15)10-17-14)9-16-13-5-6-13/h8,10,13,16H,2-7,9H2,1H3.
What are the key properties of N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 313.24 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 55058832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).