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

C14H31BrN2 — CID 65011420

IUPACN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCC(CBr)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H31BrN2/c1-6-7-14(10-15)12-17(11-13(2)3)9-8-16(4)5/h13-14H,6-12H2,1-5H3
InChIKeyZSSGDIOIRLIJRD-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.32
Rot. Bonds10

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

N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65011420) has the molecular formula C14H31BrN2 and a molecular weight of 307.32 g/mol. Its IUPAC name is N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65011420
Molecular FormulaC14H31BrN2
Molecular Weight307.32 g/mol
Exact Mass306.17
IUPAC NameN'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCCC(CBr)CN(CCN(C)C)CC(C)C
InChIInChI=1S/C14H31BrN2/c1-6-7-14(10-15)12-17(11-13(2)3)9-8-16(4)5/h13-14H,6-12H2,1-5H3
InChIKeyZSSGDIOIRLIJRD-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.32
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-(bromomethyl)pentyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65010680
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
CID 79004109
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N'-ethyl-N'-(2-ethyl-4-methylpentyl)-N,N-dimethylethane-1,2-diamine
CID 178004970
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
N'-(2-methylpentyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264489
propane;N,N,3-trimethylbutan-1-amine
CID 144828505

Frequently Asked Questions

What is the IUPAC name of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65011420) is N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCCC(CBr)CN(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ZSSGDIOIRLIJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BrN2/c1-6-7-14(10-15)12-17(11-13(2)3)9-8-16(4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 307.32 g/mol, XLogP of 3.32, 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'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65011420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).