(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine

C17H33N3 — CID 88932150

IUPAC(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine
SMILESC/C=C(CN(C)C)\C(C)=C(/C=C/CN(C)C)CN(C)C
InChIInChI=1S/C17H33N3/c1-9-16(13-19(5)6)15(2)17(14-20(7)8)11-10-12-18(3)4/h9-11H,12-14H2,1-8H3/b11-10+,16-9-,17-15+
InChIKeyUIZRFVGEGLEQLM-XWIDQBLFSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds8

About (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine

(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine (PubChem CID 88932150) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine.

Molecular Properties

Compound Name(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine
PubChem CID88932150
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine
SMILESC/C=C(CN(C)C)\C(C)=C(/C=C/CN(C)C)CN(C)C
InChIInChI=1S/C17H33N3/c1-9-16(13-19(5)6)15(2)17(14-20(7)8)11-10-12-18(3)4/h9-11H,12-14H2,1-8H3/b11-10+,16-9-,17-15+
InChIKeyUIZRFVGEGLEQLM-XWIDQBLFSA-N
XLogP2.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine?
The IUPAC name of (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine (CID 88932150) is (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine.
What is the SMILES notation for (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine?
The canonical SMILES for (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine is C/C=C(CN(C)C)\C(C)=C(/C=C/CN(C)C)CN(C)C.
What is the InChIKey of (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine?
The InChIKey is UIZRFVGEGLEQLM-XWIDQBLFSA-N. The full InChI is InChI=1S/C17H33N3/c1-9-16(13-19(5)6)15(2)17(14-20(7)8)11-10-12-18(3)4/h9-11H,12-14H2,1-8H3/b11-10+,16-9-,17-15+.
What are the key properties of (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine?
(2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-4-[(dimethylamino)methyl]-6-ethylidene-N,N,N',N',5-pentamethylhepta-2,4-diene-1,7-diamine is sourced from PubChem (CID 88932150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).