N-(2-bromoethyl)-2-piperidin-1-ylethanamine

C9H19BrN2 — CID 46738415

IUPACN-(2-bromoethyl)-2-piperidin-1-ylethanamine
SMILESBrCCNCCN1CCCCC1
InChIInChI=1S/C9H19BrN2/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-9H2
InChIKeyDYSVEFHBSAEOJD-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.46
Rot. Bonds5

About N-(2-bromoethyl)-2-piperidin-1-ylethanamine

N-(2-bromoethyl)-2-piperidin-1-ylethanamine (PubChem CID 46738415) has the molecular formula C9H19BrN2 and a molecular weight of 235.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-piperidin-1-ylethanamine
PubChem CID46738415
Molecular FormulaC9H19BrN2
Molecular Weight235.17 g/mol
Exact Mass234.07
IUPAC NameN-(2-bromoethyl)-2-piperidin-1-ylethanamine
SMILESBrCCNCCN1CCCCC1
InChIInChI=1S/C9H19BrN2/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-9H2
InChIKeyDYSVEFHBSAEOJD-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.46
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-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355
3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
3-methyl-N-(2-piperidin-1-ylethyl)but-3-en-1-amine
CID 114472178
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-(2-bromoethyl)-2-piperidin-1-ylethanamine (CID 46738415) is N-(2-bromoethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-(2-bromoethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-(2-bromoethyl)-2-piperidin-1-ylethanamine is BrCCNCCN1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-2-piperidin-1-ylethanamine?
The InChIKey is DYSVEFHBSAEOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2/c10-4-5-11-6-9-12-7-2-1-3-8-12/h11H,1-9H2.
What are the key properties of N-(2-bromoethyl)-2-piperidin-1-ylethanamine?
N-(2-bromoethyl)-2-piperidin-1-ylethanamine has a molecular weight of 235.17 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 46738415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).