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

C13H32N4 — CID 167093285

IUPACN'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)N(C)C)CCN(C)C(C)(C)C
InChIInChI=1S/C13H32N4/c1-13(2,3)16(7)11-9-15(6)10-12-17(8)14(4)5/h9-12H2,1-8H3
InChIKeyDOZSFKZHEQSSEU-UHFFFAOYSA-N
MW244.43 g/mol
LogP1.06
Rot. Bonds7

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

N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 167093285) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID167093285
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC NameN'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)N(C)C)CCN(C)C(C)(C)C
InChIInChI=1S/C13H32N4/c1-13(2,3)16(7)11-9-15(6)10-12-17(8)14(4)5/h9-12H2,1-8H3
InChIKeyDOZSFKZHEQSSEU-UHFFFAOYSA-N
XLogP1.06
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 158891423
N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 174334503
2-[dimethylamino(methyl)amino]-N-ethyl-N-methylethanamine
CID 167248768
N-tert-butyl-4-[4-[tert-butyl(methyl)amino]butoxy]-N-methylbutan-1-amine
CID 21049167
5-[tert-butyl(methyl)amino]pentan-1-ol
CID 23381575
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
N'-tert-butyl-N-ethyl-N'-methylethane-1,2-diamine
CID 115205666
N-tert-butyl-N,7,7-trimethyloctan-1-amine
CID 176737662
N-but-3-ynyl-N,2-dimethylpropan-2-amine;hydrochloride
CID 136574841
N'-tert-butyl-N-(iodomethyl)-N'-methylethane-1,2-diamine
CID 134185824
N-(2-azidoethyl)-N,2-dimethylpropan-2-amine
CID 131223244
N-[2-(3,3-dimethylbutoxy)ethyl]-N,2-dimethylpropan-2-amine
CID 164724475

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine (CID 167093285) is N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)N(C)C)CCN(C)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is DOZSFKZHEQSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N4/c1-13(2,3)16(7)11-9-15(6)10-12-17(8)14(4)5/h9-12H2,1-8H3.
What are the key properties of N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine?
N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 244.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 167093285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).