(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine

C18H30N2O2 — CID 144886755

IUPAC(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
SMILESC=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCN
InChIInChI=1S/C18H30N2O2/c1-6-7-15(2)16(3)14-17(4)18(5)20-9-11-22-13-12-21-10-8-19/h6-7,14,20H,2,4-5,8-13,19H2,1,3H3/b7-6-,16-14+
InChIKeyVLTIJBOLGHTZFS-VGGPMKHUSA-N
MW306.45 g/mol
LogP2.72
Rot. Bonds13

About (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine

(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine (PubChem CID 144886755) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine.

Molecular Properties

Compound Name(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
PubChem CID144886755
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
SMILESC=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCN
InChIInChI=1S/C18H30N2O2/c1-6-7-15(2)16(3)14-17(4)18(5)20-9-11-22-13-12-21-10-8-19/h6-7,14,20H,2,4-5,8-13,19H2,1,3H3/b7-6-,16-14+
InChIKeyVLTIJBOLGHTZFS-VGGPMKHUSA-N
XLogP2.72
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine with MolForge

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Related Compounds

(3Z)-6-N-(2-ethoxyethyl)-5-methylidene-6-N-[(2E)-penta-2,4-dien-2-yl]-2-N-(2,2,2-trifluoroethyl)hepta-1,3,6-triene-2,6-diamine
CID 162572553
1-N-(2-ethoxyethyl)-4-methylcyclohexa-1,5-diene-1,4-diamine
CID 69905513
(3E,5E)-5-N-(2-methoxyethyl)-2-methylhepta-1,3,5-triene-3,5-diamine
CID 88899433
(E,2Z)-1-N-(2-methoxyethyl)-2-prop-2-enylidenepent-3-ene-1,3-diamine
CID 88905153
(8Z)-8-ethenyl-N-[2-(2-methoxyethoxy)ethyl]undeca-1,2,8,10-tetraen-3-amine
CID 118426558
2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine
CID 123659684
3-[2-[2-(3-Ethylidene-2,6-dimethylidene-5-prop-1-enyl-1-pyridinyl)ethoxy]ethoxy]propan-1-amine
CID 123864092
(2S,4Z,6E)-6-N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-N-methyl-3-methylidene-1-pyrrolidin-1-ylocta-4,6-diene-2,6-diamine
CID 132122104
1-ethoxy-3-[[(2E,3Z,5E)-2-ethylidene-5-(methylamino)hepta-3,5-dienyl]amino]propan-2-ol
CID 139353178
N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium
CID 142097114
N-(cyclohexa-1,5-dien-1-ylmethyl)-2-[2-(2-ethoxyethoxy)ethoxy]ethanamine
CID 142463134
N-[2-(2-ethoxyethoxy)ethyl]cyclohexa-2,4-dien-1-amine
CID 142549899

Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The IUPAC name of (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine (CID 144886755) is (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine.
What is the SMILES notation for (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The canonical SMILES for (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine is C=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCN.
What is the InChIKey of (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The InChIKey is VLTIJBOLGHTZFS-VGGPMKHUSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-7-15(2)16(3)14-17(4)18(5)20-9-11-22-13-12-21-10-8-19/h6-7,14,20H,2,4-5,8-13,19H2,1,3H3/b7-6-,16-14+.
What are the key properties of (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
(4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine has a molecular weight of 306.45 g/mol, XLogP of 2.72, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine is sourced from PubChem (CID 144886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).