N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine

C15H31BrN2 — CID 114015262

IUPACN-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
SMILESCCC(CC)N(CCBr)CCC1CCCCN1C
InChIInChI=1S/C15H31BrN2/c1-4-14(5-2)18(13-10-16)12-9-15-8-6-7-11-17(15)3/h14-15H,4-13H2,1-3H3
InChIKeyZMFXQCUBCUERNT-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.75
Rot. Bonds8

About N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine

N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine (PubChem CID 114015262) has the molecular formula C15H31BrN2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
PubChem CID114015262
Molecular FormulaC15H31BrN2
Molecular Weight319.33 g/mol
Exact Mass318.17
IUPAC NameN-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
SMILESCCC(CC)N(CCBr)CCC1CCCCN1C
InChIInChI=1S/C15H31BrN2/c1-4-14(5-2)18(13-10-16)12-9-15-8-6-7-11-17(15)3/h14-15H,4-13H2,1-3H3
InChIKeyZMFXQCUBCUERNT-UHFFFAOYSA-N
XLogP3.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913819
N-(2-bromoethyl)-N-(cyclopentylmethyl)pentan-3-amine
CID 80691017
2-[2-(1-methylpiperidin-2-yl)ethyl-propylamino]acetonitrile
CID 103766528
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
N'-ethyl-2,2-dimethyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]propane-1,3-diamine
CID 79667623
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
CID 24988040
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 163258007
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The IUPAC name of N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine (CID 114015262) is N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The canonical SMILES for N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine is CCC(CC)N(CCBr)CCC1CCCCN1C.
What is the InChIKey of N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
The InChIKey is ZMFXQCUBCUERNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BrN2/c1-4-14(5-2)18(13-10-16)12-9-15-8-6-7-11-17(15)3/h14-15H,4-13H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine?
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine has a molecular weight of 319.33 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine is sourced from PubChem (CID 114015262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).