N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine

C18H41N3 — CID 62261172

IUPACN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCN(CCN(C)C)CC(C)(CCC)CNC(C)(C)C
InChIInChI=1S/C18H41N3/c1-9-11-18(6,15-19-17(3,4)5)16-21(12-10-2)14-13-20(7)8/h19H,9-16H2,1-8H3
InChIKeyVGLMKGBFFCNTRC-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.45
Rot. Bonds11

About N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine

N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine (PubChem CID 62261172) has the molecular formula C18H41N3 and a molecular weight of 299.55 g/mol. Its IUPAC name is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
PubChem CID62261172
Molecular FormulaC18H41N3
Molecular Weight299.55 g/mol
Exact Mass299.33
IUPAC NameN-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine
SMILESCCCN(CCN(C)C)CC(C)(CCC)CNC(C)(C)C
InChIInChI=1S/C18H41N3/c1-9-11-18(6,15-19-17(3,4)5)16-21(12-10-2)14-13-20(7)8/h19H,9-16H2,1-8H3
InChIKeyVGLMKGBFFCNTRC-UHFFFAOYSA-N
XLogP3.45
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
2-[[2-[(tert-butylamino)methyl]-2-methylpentyl]-ethylamino]ethanol
CID 55051933
N-tert-butyl-N'-ethyl-N'-(2-methoxyethyl)-2-methyl-2-propylpropane-1,3-diamine
CID 62259971
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
N-tert-butyl-N'-ethyl-N'-(2-ethylbutyl)-2-methyl-2-propylpropane-1,3-diamine
CID 63494621
2-[[2-methyl-2-(methylaminomethyl)pentyl]-propylamino]ethanol
CID 62260772
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277
2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
CID 62260774
N-tert-butyl-N',2-dimethyl-N'-(2-methylbutyl)-2-propylpropane-1,3-diamine
CID 55194829
N,2-dimethyl-N',2-dipropyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256908

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine (CID 62261172) is N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine is CCCN(CCN(C)C)CC(C)(CCC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine?
The InChIKey is VGLMKGBFFCNTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N3/c1-9-11-18(6,15-19-17(3,4)5)16-21(12-10-2)14-13-20(7)8/h19H,9-16H2,1-8H3.
What are the key properties of N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine?
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine has a molecular weight of 299.55 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-methyl-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 62261172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).