1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine

C10H22BrNO — CID 107859084

IUPAC1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine
SMILESCOCCC(C)NC(CBr)C(C)C
InChIInChI=1S/C10H22BrNO/c1-8(2)10(7-11)12-9(3)5-6-13-4/h8-10,12H,5-7H2,1-4H3
InChIKeyHQBZJHLVZXKUQK-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.42
Rot. Bonds7

About 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine

1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine (PubChem CID 107859084) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine
PubChem CID107859084
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine
SMILESCOCCC(C)NC(CBr)C(C)C
InChIInChI=1S/C10H22BrNO/c1-8(2)10(7-11)12-9(3)5-6-13-4/h8-10,12H,5-7H2,1-4H3
InChIKeyHQBZJHLVZXKUQK-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 107859237
4-bromo-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 116185786
(3-Methoxypropyl)(3-methylbutan-2-yl)amine
CID 43205074
3-(3-methylbutoxy)-N-propan-2-ylpropan-1-amine
CID 61684536
N-ethyl-4-methoxy-3-methylbutan-2-amine
CID 64121422
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
ethane;4-methoxy-N-(2-methylpropyl)butan-2-amine
CID 177228092
4-(3-methylbutoxy)-N-propylbutan-2-amine
CID 61757037
N-ethyl-4-(3-methylbutoxy)butan-2-amine
CID 61757227
4-methoxy-N-(2-methylpropyl)butan-2-amine
CID 61864563
N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine
CID 61864795
N-(4-methoxybutan-2-yl)-3-methylbutan-1-amine
CID 61865386

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine (CID 107859084) is 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine is COCCC(C)NC(CBr)C(C)C.
What is the InChIKey of 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine?
The InChIKey is HQBZJHLVZXKUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-8(2)10(7-11)12-9(3)5-6-13-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine?
1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine has a molecular weight of 252.20 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 107859084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).