N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide

C9H16N2O — CID 134525628

IUPACN-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
SMILESC/C(=C/C(C)=C(\C)CN)NC=O
InChIInChI=1S/C9H16N2O/c1-7(8(2)5-10)4-9(3)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-7+,9-4-
InChIKeyODVNOFBPTKDSOU-KCKXTUGSSA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds4

About N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide

N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide (PubChem CID 134525628) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
PubChem CID134525628
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
SMILESC/C(=C/C(C)=C(\C)CN)NC=O
InChIInChI=1S/C9H16N2O/c1-7(8(2)5-10)4-9(3)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-7+,9-4-
InChIKeyODVNOFBPTKDSOU-KCKXTUGSSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.93
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-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide?
The IUPAC name of N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide (CID 134525628) is N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide.
What is the SMILES notation for N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide?
The canonical SMILES for N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide is C/C(=C/C(C)=C(\C)CN)NC=O.
What is the InChIKey of N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide?
The InChIKey is ODVNOFBPTKDSOU-KCKXTUGSSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(8(2)5-10)4-9(3)11-6-12/h4,6H,5,10H2,1-3H3,(H,11,12)/b8-7+,9-4-.
What are the key properties of N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide?
N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide has a molecular weight of 168.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide is sourced from PubChem (CID 134525628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).