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

C11H23BrN2 — CID 107913859

IUPAC3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
SMILESCN1CCCCC1CCNCCCBr
InChIInChI=1S/C11H23BrN2/c1-14-10-3-2-5-11(14)6-9-13-8-4-7-12/h11,13H,2-10H2,1H3
InChIKeyZVUJWPYWTQBRNI-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.24
Rot. Bonds6

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

3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine (PubChem CID 107913859) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
PubChem CID107913859
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
SMILESCN1CCCCC1CCNCCCBr
InChIInChI=1S/C11H23BrN2/c1-14-10-3-2-5-11(14)6-9-13-8-4-7-12/h11,13H,2-10H2,1H3
InChIKeyZVUJWPYWTQBRNI-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.24
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-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
N-[2-(1-methylpyrrolidin-2-yl)ethyl]octan-1-amine
CID 166754142
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine (CID 107913859) is 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine is CN1CCCCC1CCNCCCBr.
What is the InChIKey of 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine?
The InChIKey is ZVUJWPYWTQBRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-14-10-3-2-5-11(14)6-9-13-8-4-7-12/h11,13H,2-10H2,1H3.
What are the key properties of 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine?
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine has a molecular weight of 263.22 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107913859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).