1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine

C10H22BrNO — CID 107859702

IUPAC1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
SMILESCC(C)CCOCCNC(C)CBr
InChIInChI=1S/C10H22BrNO/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8H2,1-3H3
InChIKeyRLLPAWVODWWXEN-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.42
Rot. Bonds8

About 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine

1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine (PubChem CID 107859702) has the molecular formula C10H22BrNO and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
PubChem CID107859702
Molecular FormulaC10H22BrNO
Molecular Weight252.20 g/mol
Exact Mass251.09
IUPAC Name1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
SMILESCC(C)CCOCCNC(C)CBr
InChIInChI=1S/C10H22BrNO/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8H2,1-3H3
InChIKeyRLLPAWVODWWXEN-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
CID 103389691
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
4-bromo-N-(2-butoxyethyl)butan-2-amine
CID 83186631
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54956098
N-[2-(3-methylbutoxy)ethyl]hex-1-yn-3-amine
CID 106229882
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine (CID 107859702) is 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine is CC(C)CCOCCNC(C)CBr.
What is the InChIKey of 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
The InChIKey is RLLPAWVODWWXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO/c1-9(2)4-6-13-7-5-12-10(3)8-11/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine?
1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine has a molecular weight of 252.20 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine is sourced from PubChem (CID 107859702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).