6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine

C10H22BrNO — CID 107844567

IUPAC6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine
SMILESCOCC(C)NCCCCCCBr
InChIInChI=1S/C10H22BrNO/c1-10(9-13-2)12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyWEYULLUNNUSQSK-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.57
Rot. Bonds9

About 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine

6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine (PubChem CID 107844567) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine
PubChem CID107844567
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine
SMILESCOCC(C)NCCCCCCBr
InChIInChI=1S/C10H22BrNO/c1-10(9-13-2)12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3
InChIKeyWEYULLUNNUSQSK-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.57
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

N-(1-methoxypropan-2-yl)nonan-1-amine
CID 43129186
ethane;1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 142226149
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
1-bromo-4-[(2S)-1-methoxypropan-2-yl]oxybutane
CID 75406718
1-methoxy-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 60688575
1-methoxy-N-(2-octoxyethyl)propan-2-amine
CID 62599716
N',N'-diethyl-N-[(2R)-1-methoxypropan-2-yl]ethane-1,2-diamine
CID 28571173
4-bromo-N-[3-(2-methoxyethoxy)propyl]butan-2-amine
CID 103413141
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
6-bromo-N-[2-(2-methylpropoxy)ethyl]hexan-1-amine
CID 107844233

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine?
The IUPAC name of 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine (CID 107844567) is 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine.
What is the SMILES notation for 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine?
The canonical SMILES for 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine is COCC(C)NCCCCCCBr.
What is the InChIKey of 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine?
The InChIKey is WEYULLUNNUSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-10(9-13-2)12-8-6-4-3-5-7-11/h10,12H,3-9H2,1-2H3.
What are the key properties of 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine?
6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine has a molecular weight of 252.20 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methoxypropan-2-yl)hexan-1-amine is sourced from PubChem (CID 107844567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).