2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine

C15H30BrN — CID 65005083

IUPAC2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CC1CCC1
InChIInChI=1S/C15H30BrN/c1-4-9-15(12-16,10-5-2)13-17(3)11-14-7-6-8-14/h14H,4-13H2,1-3H3
InChIKeyGTDYLJGDYQYPKS-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.70
Rot. Bonds9

About 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine

2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine (PubChem CID 65005083) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
PubChem CID65005083
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC Name2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
SMILESCCCC(CBr)(CCC)CN(C)CC1CCC1
InChIInChI=1S/C15H30BrN/c1-4-9-15(12-16,10-5-2)13-17(3)11-14-7-6-8-14/h14H,4-13H2,1-3H3
InChIKeyGTDYLJGDYQYPKS-UHFFFAOYSA-N
XLogP4.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine 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

2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
CID 65005287
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
N-[2-(bromomethyl)-2-propylpentyl]-N-methyloxan-4-amine
CID 65004978
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63495625
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65005084
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine (CID 65005083) is 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine is CCCC(CBr)(CCC)CN(C)CC1CCC1.
What is the InChIKey of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine?
The InChIKey is GTDYLJGDYQYPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrN/c1-4-9-15(12-16,10-5-2)13-17(3)11-14-7-6-8-14/h14H,4-13H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine?
2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine has a molecular weight of 304.32 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 65005083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).