ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

C13H26N2 — CID 143782119

IUPACethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
SMILESC=C.C=C(/C=C\C)C(C)(N)CCN(C)C
InChIInChI=1S/C11H22N2.C2H4/c1-6-7-10(2)11(3,12)8-9-13(4)5;1-2/h6-7H,2,8-9,12H2,1,3-5H3;1-2H2/b7-6-;
InChIKeySACWJIQDXISLAA-NAFXZHHSSA-N
MW210.36 g/mol
LogP2.59
Rot. Bonds5

About ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine

ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (PubChem CID 143782119) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.

Molecular Properties

Compound Nameethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
PubChem CID143782119
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Nameethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine
SMILESC=C.C=C(/C=C\C)C(C)(N)CCN(C)C
InChIInChI=1S/C11H22N2.C2H4/c1-6-7-10(2)11(3,12)8-9-13(4)5;1-2/h6-7H,2,8-9,12H2,1,3-5H3;1-2H2/b7-6-;
InChIKeySACWJIQDXISLAA-NAFXZHHSSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The IUPAC name of ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine (CID 143782119) is ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine.
What is the SMILES notation for ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The canonical SMILES for ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is C=C.C=C(/C=C\C)C(C)(N)CCN(C)C.
What is the InChIKey of ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
The InChIKey is SACWJIQDXISLAA-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H22N2.C2H4/c1-6-7-10(2)11(3,12)8-9-13(4)5;1-2/h6-7H,2,8-9,12H2,1,3-5H3;1-2H2/b7-6-;.
What are the key properties of ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine?
ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-1-N,1-N,3-trimethyl-4-methylidenehept-5-ene-1,3-diamine is sourced from PubChem (CID 143782119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).