2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

C13H30N2 — CID 63965862

IUPAC2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-12(4,5)15(6)11-13(8-2,9-3)10-14/h7-11,14H2,1-6H3
InChIKeyXEWIEPBHTMOUBT-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.87
Rot. Bonds7

About 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine

2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (PubChem CID 63965862) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
PubChem CID63965862
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)C(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-12(4,5)15(6)11-13(8-2,9-3)10-14/h7-11,14H2,1-6H3
InChIKeyXEWIEPBHTMOUBT-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-triethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965180
2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62264308
1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 63960051
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
N',2-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63981166
2,2-diethyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112661269
N,N',2,2-tetramethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63964315
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butanoic acid
CID 63967132
2,2-diethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62257958
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine (CID 63965862) is 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is CCC(CC)(CN)CN(C)C(C)(C)CC.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
The InChIKey is XEWIEPBHTMOUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-12(4,5)15(6)11-13(8-2,9-3)10-14/h7-11,14H2,1-6H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 63965862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).