ethane;2-ethyl-N'-methylpropane-1,3-diamine

C10H28N2 — CID 144511427

IUPACethane;2-ethyl-N'-methylpropane-1,3-diamine
SMILESCC.CC.CCC(CN)CNC
InChIInChI=1S/C6H16N2.2C2H6/c1-3-6(4-7)5-8-2;2*1-2/h6,8H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyIEZBNISCDHOYPY-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.24
Rot. Bonds4

About ethane;2-ethyl-N'-methylpropane-1,3-diamine

ethane;2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 144511427) has the molecular formula C10H28N2 and a molecular weight of 176.35 g/mol. Its IUPAC name is ethane;2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Nameethane;2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID144511427
Molecular FormulaC10H28N2
Molecular Weight176.35 g/mol
Exact Mass176.23
IUPAC Nameethane;2-ethyl-N'-methylpropane-1,3-diamine
SMILESCC.CC.CCC(CN)CNC
InChIInChI=1S/C6H16N2.2C2H6/c1-3-6(4-7)5-8-2;2*1-2/h6,8H,3-5,7H2,1-2H3;2*1-2H3
InChIKeyIEZBNISCDHOYPY-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
2-ethylpropane-1,3-diamine
CID 14499053
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
N',N',2-triethyl-N-methylpentane-1,5-diamine
CID 142375045
2-ethyl-N-methylundecan-1-amine
CID 63522579
(2R)-3-N-methylpropane-1,2,3-triamine
CID 155906228
4-(methylaminomethyl)hexanal
CID 170602514
4-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 62530936
(4R)-2-(aminomethyl)-4-N-methylhexane-1,4-diamine;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(4R)-2-ethyl-1-N,4-N-dimethylhexane-1,4-diamine
CID 90862093

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of ethane;2-ethyl-N'-methylpropane-1,3-diamine (CID 144511427) is ethane;2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for ethane;2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for ethane;2-ethyl-N'-methylpropane-1,3-diamine is CC.CC.CCC(CN)CNC.
What is the InChIKey of ethane;2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is IEZBNISCDHOYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2C2H6/c1-3-6(4-7)5-8-2;2*1-2/h6,8H,3-5,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-N'-methylpropane-1,3-diamine?
ethane;2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 176.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 144511427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).