1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane

C15H33N3O — CID 142516752

IUPAC1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane
SMILESC/C(N)=C\C=C(/C)NC(=O)NC(C)C.CC.CCC
InChIInChI=1S/C10H19N3O.C3H8.C2H6/c1-7(2)12-10(14)13-9(4)6-5-8(3)11;1-3-2;1-2/h5-7H,11H2,1-4H3,(H2,12,13,14);3H2,1-2H3;1-2H3/b8-5+,9-6+;;
InChIKeyQZUGGNJTOVOVKH-MLHUQVQXSA-N
MW271.45 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane

1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane (PubChem CID 142516752) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane.

Molecular Properties

Compound Name1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane
PubChem CID142516752
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane
SMILESC/C(N)=C\C=C(/C)NC(=O)NC(C)C.CC.CCC
InChIInChI=1S/C10H19N3O.C3H8.C2H6/c1-7(2)12-10(14)13-9(4)6-5-8(3)11;1-3-2;1-2/h5-7H,11H2,1-4H3,(H2,12,13,14);3H2,1-2H3;1-2H3/b8-5+,9-6+;;
InChIKeyQZUGGNJTOVOVKH-MLHUQVQXSA-N
XLogP3.90
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane?
The IUPAC name of 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane (CID 142516752) is 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane.
What is the SMILES notation for 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane?
The canonical SMILES for 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane is C/C(N)=C\C=C(/C)NC(=O)NC(C)C.CC.CCC.
What is the InChIKey of 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane?
The InChIKey is QZUGGNJTOVOVKH-MLHUQVQXSA-N. The full InChI is InChI=1S/C10H19N3O.C3H8.C2H6/c1-7(2)12-10(14)13-9(4)6-5-8(3)11;1-3-2;1-2/h5-7H,11H2,1-4H3,(H2,12,13,14);3H2,1-2H3;1-2H3/b8-5+,9-6+;;.
What are the key properties of 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane?
1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane has a molecular weight of 271.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]-3-propan-2-ylurea;ethane;propane is sourced from PubChem (CID 142516752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).