2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine

C13H26BrN — CID 65004000

IUPAC2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
SMILESCCN(CC1CC1)CC(CC)(CC)CBr
InChIInChI=1S/C13H26BrN/c1-4-13(5-2,10-14)11-15(6-3)9-12-7-8-12/h12H,4-11H2,1-3H3
InChIKeyXDQCECOKBSEIGN-UHFFFAOYSA-N
MW276.26 g/mol
LogP3.92
Rot. Bonds8

About 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine

2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine (PubChem CID 65004000) has the molecular formula C13H26BrN and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
PubChem CID65004000
Molecular FormulaC13H26BrN
Molecular Weight276.26 g/mol
Exact Mass275.12
IUPAC Name2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
SMILESCCN(CC1CC1)CC(CC)(CC)CBr
InChIInChI=1S/C13H26BrN/c1-4-13(5-2,10-14)11-15(6-3)9-12-7-8-12/h12H,4-11H2,1-3H3
InChIKeyXDQCECOKBSEIGN-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 53.92
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,N-bis(cyclopropylmethyl)-2-propylpentan-1-amine
CID 65005287
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
2-(bromomethyl)-N-butyl-N,2-diethylbutan-1-amine
CID 64998595
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
2-(bromomethyl)-N,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 65003436
N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 63495721
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
CID 107401503
1-[1-[2-(bromomethyl)-2-ethylbutyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 65003733
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine (CID 65004000) is 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine is CCN(CC1CC1)CC(CC)(CC)CBr.
What is the InChIKey of 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine?
The InChIKey is XDQCECOKBSEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN/c1-4-13(5-2,10-14)11-15(6-3)9-12-7-8-12/h12H,4-11H2,1-3H3.
What are the key properties of 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine?
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine has a molecular weight of 276.26 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 65004000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).