2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine

C13H28BrN — CID 65005368

IUPAC2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine
SMILESCCCN(C)CC(CBr)(CCC)CCC
InChIInChI=1S/C13H28BrN/c1-5-8-13(11-14,9-6-2)12-15(4)10-7-3/h5-12H2,1-4H3
InChIKeySJTZDRWNCZJDTD-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.31
Rot. Bonds9

About 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine

2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine (PubChem CID 65005368) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine
PubChem CID65005368
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC Name2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine
SMILESCCCN(C)CC(CBr)(CCC)CCC
InChIInChI=1S/C13H28BrN/c1-5-8-13(11-14,9-6-2)12-15(4)10-7-3/h5-12H2,1-4H3
InChIKeySJTZDRWNCZJDTD-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
CID 65487454
1-bromo-2,2-bis(bromomethyl)pentane
CID 88845529
4,4-bis(bromomethyl)heptane
CID 79004116
2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005083
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097
2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
CID 82938035
4-[[[2-(bromomethyl)-2-propylpentyl]-methylamino]methyl]oxan-4-ol
CID 114952430
2-(bromomethyl)-N-ethyl-2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 65005129
2-ethyl-2-[[methyl(propyl)amino]methyl]butan-1-ol
CID 62270573
2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005028
2-(bromomethyl)-N,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
CID 65005287

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine (CID 65005368) is 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine is CCCN(C)CC(CBr)(CCC)CCC.
What is the InChIKey of 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine?
The InChIKey is SJTZDRWNCZJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-5-8-13(11-14,9-6-2)12-15(4)10-7-3/h5-12H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine?
2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-methyl-N,2-dipropylpentan-1-amine is sourced from PubChem (CID 65005368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).