N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide

C13H18N2O — CID 134502576

IUPACN-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide
SMILESC=C/C(=C\C=C/C)C/C=C\C(N)=C/NC=O
InChIInChI=1S/C13H18N2O/c1-3-5-7-12(4-2)8-6-9-13(14)10-15-11-16/h3-7,9-11H,2,8,14H2,1H3,(H,15,16)/b5-3-,9-6-,12-7+,13-10+
InChIKeyVTCHOTKVFWKBBB-WSYOEFEISA-N
MW218.30 g/mol
LogP2.17
Rot. Bonds7

About N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide

N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide (PubChem CID 134502576) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide.

Molecular Properties

Compound NameN-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide
PubChem CID134502576
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide
SMILESC=C/C(=C\C=C/C)C/C=C\C(N)=C/NC=O
InChIInChI=1S/C13H18N2O/c1-3-5-7-12(4-2)8-6-9-13(14)10-15-11-16/h3-7,9-11H,2,8,14H2,1H3,(H,15,16)/b5-3-,9-6-,12-7+,13-10+
InChIKeyVTCHOTKVFWKBBB-WSYOEFEISA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide?
The IUPAC name of N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide (CID 134502576) is N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide.
What is the SMILES notation for N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide?
The canonical SMILES for N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide is C=C/C(=C\C=C/C)C/C=C\C(N)=C/NC=O.
What is the InChIKey of N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide?
The InChIKey is VTCHOTKVFWKBBB-WSYOEFEISA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-7-12(4-2)8-6-9-13(14)10-15-11-16/h3-7,9-11H,2,8,14H2,1H3,(H,15,16)/b5-3-,9-6-,12-7+,13-10+.
What are the key properties of N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide?
N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide has a molecular weight of 218.30 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide is sourced from PubChem (CID 134502576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).