N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine

C10H20BrN — CID 65011242

IUPACN-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
SMILESCCCC(CBr)CN(C)C1CC1
InChIInChI=1S/C10H20BrN/c1-3-4-9(7-11)8-12(2)10-5-6-10/h9-10H,3-8H2,1-2H3
InChIKeyPBCACHMJBWCLJC-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine

N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine (PubChem CID 65011242) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
PubChem CID65011242
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC NameN-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
SMILESCCCC(CBr)CN(C)C1CC1
InChIInChI=1S/C10H20BrN/c1-3-4-9(7-11)8-12(2)10-5-6-10/h9-10H,3-8H2,1-2H3
InChIKeyPBCACHMJBWCLJC-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine 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-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
CID 65011178
N-[2-(bromomethyl)pentyl]-1-ethyl-N-methylpiperidin-4-amine
CID 65011364
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
N-[2-(bromomethyl)pentyl]-N,2-dimethyloxolan-3-amine
CID 82749590
N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
CID 65011181
2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpentan-1-amine
CID 65011250
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
4-(bromomethyl)octane
CID 24880888
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65011420
N-[2-(bromomethyl)pentyl]-4-ethyl-N-methylaniline
CID 65012587

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine (CID 65011242) is N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine is CCCC(CBr)CN(C)C1CC1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine?
The InChIKey is PBCACHMJBWCLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-3-4-9(7-11)8-12(2)10-5-6-10/h9-10H,3-8H2,1-2H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine?
N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine has a molecular weight of 234.18 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine is sourced from PubChem (CID 65011242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).