N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C13H29BrN2 — CID 65010680

IUPACN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCC(CBr)CN(CCC)CCN(C)C
InChIInChI=1S/C13H29BrN2/c1-5-7-13(11-14)12-16(8-6-2)10-9-15(3)4/h13H,5-12H2,1-4H3
InChIKeyOVZWRTMJUDBCKT-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.07
Rot. Bonds10

About N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 65010680) has the molecular formula C13H29BrN2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID65010680
Molecular FormulaC13H29BrN2
Molecular Weight293.29 g/mol
Exact Mass292.15
IUPAC NameN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCC(CBr)CN(CCC)CCN(C)C
InChIInChI=1S/C13H29BrN2/c1-5-7-13(11-14)12-16(8-6-2)10-9-15(3)4/h13H,5-12H2,1-4H3
InChIKeyOVZWRTMJUDBCKT-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 65010680) is N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCC(CBr)CN(CCC)CCN(C)C.
What is the InChIKey of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is OVZWRTMJUDBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BrN2/c1-5-7-13(11-14)12-16(8-6-2)10-9-15(3)4/h13H,5-12H2,1-4H3.
What are the key properties of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 293.29 g/mol, XLogP of 3.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65010680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).