2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C16H35BrN2 — CID 103190646

IUPAC2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCCCCCCCCBr)C(C)CN(C)C
InChIInChI=1S/C16H35BrN2/c1-5-19(16(2)15-18(3)4)14-12-10-8-6-7-9-11-13-17/h16H,5-15H2,1-4H3
InChIKeyGGPUPRRAALJAAZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.38
Rot. Bonds13

About 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103190646) has the molecular formula C16H35BrN2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103190646
Molecular FormulaC16H35BrN2
Molecular Weight335.37 g/mol
Exact Mass334.20
IUPAC Name2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCN(CCCCCCCCCBr)C(C)CN(C)C
InChIInChI=1S/C16H35BrN2/c1-5-19(16(2)15-18(3)4)14-12-10-8-6-7-9-11-13-17/h16H,5-15H2,1-4H3
InChIKeyGGPUPRRAALJAAZ-UHFFFAOYSA-N
XLogP4.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
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

N'-[1-(dimethylamino)propan-2-yl]-N'-ethylbutane-1,4-diamine
CID 103187905
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
2-N-(5-bromo-3-methylpentyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190643
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
3-tert-butyl-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylhexane-1,6-diamine
CID 103189561
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylhexane-1,3-diamine
CID 103189553
1-N,2-N,2-N-triethyl-1-N-octadecylpropane-1,2-diamine
CID 158757801
2-N-(3-anilinopropyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191837

Frequently Asked Questions

What is the IUPAC name of 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103190646) is 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CCN(CCCCCCCCCBr)C(C)CN(C)C.
What is the InChIKey of 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is GGPUPRRAALJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35BrN2/c1-5-19(16(2)15-18(3)4)14-12-10-8-6-7-9-11-13-17/h16H,5-15H2,1-4H3.
What are the key properties of 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 335.37 g/mol, XLogP of 4.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103190646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).