N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine

C11H27N3 — CID 59289867

IUPACN,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCCN(C)CC(CC)(CNC)CNC
InChIInChI=1S/C11H27N3/c1-6-11(8-12-3,9-13-4)10-14(5)7-2/h12-13H,6-10H2,1-5H3
InChIKeyWBNXWTHALHWADE-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.77
Rot. Bonds8

About N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine

N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine (PubChem CID 59289867) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
PubChem CID59289867
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
SMILESCCN(C)CC(CC)(CNC)CNC
InChIInChI=1S/C11H27N3/c1-6-11(8-12-3,9-13-4)10-14(5)7-2/h12-13H,6-10H2,1-5H3
InChIKeyWBNXWTHALHWADE-UHFFFAOYSA-N
XLogP0.77
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[3-(3,3-dimethylbutylamino)propyl]-N-[3-(ethylamino)propyl]butane-1,4-diamine
CID 45269599
1-(1,3-Dimethyl-3-pyrrolidinyl)methanamine
CID 18712661
1-(1,3-Dimethylpyrrolidin-3-yl)-N-methylmethanamine
CID 45791027
[2,2-Dimethyl-3-(pyrrolidin-1-yl)propyl](methyl)amine
CID 62261665
N-(3,3-dimethylbutyl)-3,3-dimethylbutan-1-amine
CID 20448447
12-Dimethylspermine
CID 129718285
2-ethyl-2-(fluoromethyl)-N',N'-dimethylpropane-1,3-diamine
CID 142076840
N,N',2-triethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 55055942
2-ethyl-2-methyl-N,N'-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 55056324
N,2-diethyl-N',2-dimethyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255869
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
N',2-diethyl-2-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256036

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The IUPAC name of N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine (CID 59289867) is N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine is CCN(C)CC(CC)(CNC)CNC.
What is the InChIKey of N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
The InChIKey is WBNXWTHALHWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-6-11(8-12-3,9-13-4)10-14(5)7-2/h12-13H,6-10H2,1-5H3.
What are the key properties of N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine?
N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine is sourced from PubChem (CID 59289867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).