ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine

C13H24N2 — CID 177320801

IUPACethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
SMILESCC.CN(C)CCN(C)c1ccccc1
InChIInChI=1S/C11H18N2.C2H6/c1-12(2)9-10-13(3)11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3;1-2H3
InChIKeyQYUPLNAJNURSGG-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.71
Rot. Bonds4

About ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine

ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine (PubChem CID 177320801) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
PubChem CID177320801
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
SMILESCC.CN(C)CCN(C)c1ccccc1
InChIInChI=1S/C11H18N2.C2H6/c1-12(2)9-10-13(3)11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3;1-2H3
InChIKeyQYUPLNAJNURSGG-UHFFFAOYSA-N
XLogP2.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70599954
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CID 22967947
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
4-N-[2-(dimethylamino)ethyl]-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117029041
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 111037460
N-heptyl-N-methylaniline
CID 54015540
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
1-N,3-dimethyl-1-N-phenylbutane-1,3-diamine
CID 10797840
2-(N-methylanilino)ethyl-triphenylphosphanium
CID 71322750
N'-(3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine;ethane
CID 144693045

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine (CID 177320801) is ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine.
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine is CC.CN(C)CCN(C)c1ccccc1.
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine?
The InChIKey is QYUPLNAJNURSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-12(2)9-10-13(3)11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine?
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 177320801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).