N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine

C16H40N4 — CID 142967603

IUPACN,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=C.C=CCN(C)CCN(C)C.CC.CNCCNC
InChIInChI=1S/C8H18N2.C4H12N2.C2H6.C2H4/c1-5-6-10(4)8-7-9(2)3;1-5-3-4-6-2;2*1-2/h5H,1,6-8H2,2-4H3;5-6H,3-4H2,1-2H3;1-2H3;1-2H2
InChIKeyBNOMQAJSKKFADO-UHFFFAOYSA-N
MW288.52 g/mol
LogP1.92
Rot. Bonds8

About N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine

N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine (PubChem CID 142967603) has the molecular formula C16H40N4 and a molecular weight of 288.52 g/mol. Its IUPAC name is N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine
PubChem CID142967603
Molecular FormulaC16H40N4
Molecular Weight288.52 g/mol
Exact Mass288.33
IUPAC NameN,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine
SMILESC=C.C=CCN(C)CCN(C)C.CC.CNCCNC
InChIInChI=1S/C8H18N2.C4H12N2.C2H6.C2H4/c1-5-6-10(4)8-7-9(2)3;1-5-3-4-6-2;2*1-2/h5H,1,6-8H2,2-4H3;5-6H,3-4H2,1-2H3;1-2H3;1-2H2
InChIKeyBNOMQAJSKKFADO-UHFFFAOYSA-N
XLogP1.92
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-prop-2-enylprop-2-en-1-amine;hydroiodide
CID 141311417
ethane;propane;N,N',N'-trimethylethane-1,2-diamine
CID 143559684
N-(2-chloroethyl)-N-methylprop-2-en-1-amine;hydrochloride
CID 122164038
3-chloro-N-methyl-N-prop-2-enylpropan-1-amine
CID 94252089
2-[methyl-[2-(methylamino)ethyl]amino]acetaldehyde
CID 45087438
buta-1,3-diene;N,N,N',N'-tetramethylethane-1,2-diamine
CID 160608362
2-[methyl-[2-[methyl(prop-2-enyl)amino]ethyl]amino]ethanethioic S-acid
CID 87472659
lithium;hydride;N,N',N'-trimethylethane-1,2-diamine
CID 173063979
propane;N,N',N'-trimethylethane-1,2-diamine
CID 176717346
CID 88826921
CID 88826921
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080
CID 173338058
CID 173338058

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine (CID 142967603) is N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine is C=C.C=CCN(C)CCN(C)C.CC.CNCCNC.
What is the InChIKey of N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is BNOMQAJSKKFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C4H12N2.C2H6.C2H4/c1-5-6-10(4)8-7-9(2)3;1-5-3-4-6-2;2*1-2/h5H,1,6-8H2,2-4H3;5-6H,3-4H2,1-2H3;1-2H3;1-2H2.
What are the key properties of N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine?
N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 288.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylethane-1,2-diamine;ethane;ethene;N,N,N'-trimethyl-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 142967603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).