ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine

C13H34N2 — CID 176935759

IUPACethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CC.CCN(C)CCN(C)C(C)C
InChIInChI=1S/C9H22N2.2C2H6/c1-6-10(4)7-8-11(5)9(2)3;2*1-2/h9H,6-8H2,1-5H3;2*1-2H3
InChIKeyHNKIWZDTXXQBFX-UHFFFAOYSA-N
MW218.43 g/mol
LogP3.33
Rot. Bonds5

About ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine

ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176935759) has the molecular formula C13H34N2 and a molecular weight of 218.43 g/mol. Its IUPAC name is ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID176935759
Molecular FormulaC13H34N2
Molecular Weight218.43 g/mol
Exact Mass218.27
IUPAC Nameethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC.CC.CCN(C)CCN(C)C(C)C
InChIInChI=1S/C9H22N2.2C2H6/c1-6-10(4)7-8-11(5)9(2)3;2*1-2/h9H,6-8H2,1-5H3;2*1-2H3
InChIKeyHNKIWZDTXXQBFX-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[ethyl(methyl)amino]ethoxy]ethyl]-N-methylpropan-2-amine
CID 177053557
zinc;N-ethyl-N-methylpropan-1-amine;N-methyl-N-propylpropan-2-amine
CID 171588534
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
CID 156728034
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-methyl-N,N',N'-tri(propan-2-yl)ethane-1,2-diamine
CID 58105681
N'-butan-2-yl-N-[2-[butan-2-yl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 159533219
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
ethane;N-ethyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 143417410
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
1-N,3-N-dimethyl-3-N-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]-1-N-propan-2-ylbutane-1,3-diamine
CID 176568903
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 176935759) is ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine is CC.CC.CCN(C)CCN(C)C(C)C.
What is the InChIKey of ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HNKIWZDTXXQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.2C2H6/c1-6-10(4)7-8-11(5)9(2)3;2*1-2/h9H,6-8H2,1-5H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine?
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 218.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176935759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).