6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine

C12H26BrNO — CID 107844233

IUPAC6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
SMILESCC(C)COCCNCCCCCCBr
InChIInChI=1S/C12H26BrNO/c1-12(2)11-15-10-9-14-8-6-4-3-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyKUUDHLNFAUQRBP-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.20
Rot. Bonds11

About 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine

6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine (PubChem CID 107844233) has the molecular formula C12H26BrNO and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
PubChem CID107844233
Molecular FormulaC12H26BrNO
Molecular Weight280.25 g/mol
Exact Mass279.12
IUPAC Name6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
SMILESCC(C)COCCNCCCCCCBr
InChIInChI=1S/C12H26BrNO/c1-12(2)11-15-10-9-14-8-6-4-3-5-7-13/h12,14H,3-11H2,1-2H3
InChIKeyKUUDHLNFAUQRBP-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-ethoxyethyl)butan-1-amine
CID 106844762
N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399
4-bromo-N-(2-propoxyethyl)butan-1-amine
CID 106844739
5-bromo-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-amine
CID 107320355
N-[2-(2-methylpropoxy)ethyl]-3-propoxypropan-1-amine
CID 106452398
5-bromo-N-(3-methylbutyl)pentan-1-amine
CID 107320246
N-ethyl-4-(2-methylpropoxy)butan-1-amine
CID 62445495
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
6-bromo-N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 107844046
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162
2-methylpropyl 5-[2-[2-[2-[[4-(2-methylpropoxy)-4-oxobutyl]amino]ethoxy]ethoxy]ethylamino]pentanoate
CID 134487391

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The IUPAC name of 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine (CID 107844233) is 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The canonical SMILES for 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine is CC(C)COCCNCCCCCCBr.
What is the InChIKey of 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
The InChIKey is KUUDHLNFAUQRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BrNO/c1-12(2)11-15-10-9-14-8-6-4-3-5-7-13/h12,14H,3-11H2,1-2H3.
What are the key properties of 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine?
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine has a molecular weight of 280.25 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 107844233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).