2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine

C12H26BrN — CID 65011302

IUPAC2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
SMILESCCCC(CBr)CN(C)CC(C)CC
InChIInChI=1S/C12H26BrN/c1-5-7-12(8-13)10-14(4)9-11(3)6-2/h11-12H,5-10H2,1-4H3
InChIKeyXVYZSMOSBQOMRQ-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.78
Rot. Bonds8

About 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine

2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine (PubChem CID 65011302) has the molecular formula C12H26BrN and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
PubChem CID65011302
Molecular FormulaC12H26BrN
Molecular Weight264.25 g/mol
Exact Mass263.12
IUPAC Name2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
SMILESCCCC(CBr)CN(C)CC(C)CC
InChIInChI=1S/C12H26BrN/c1-5-7-12(8-13)10-14(4)9-11(3)6-2/h11-12H,5-10H2,1-4H3
InChIKeyXVYZSMOSBQOMRQ-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.78
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

N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65011420
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
3-(bromomethyl)-5-methyloctane
CID 66041043
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758
N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
2-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013047
N-methyl-2-propyl-N-(2-propylheptyl)heptan-1-amine
CID 140640734
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine (CID 65011302) is 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine is CCCC(CBr)CN(C)CC(C)CC.
What is the InChIKey of 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine?
The InChIKey is XVYZSMOSBQOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrN/c1-5-7-12(8-13)10-14(4)9-11(3)6-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine?
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine has a molecular weight of 264.25 g/mol, XLogP of 3.78, 8 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-methylbutyl)pentan-1-amine is sourced from PubChem (CID 65011302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).