N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide

C9H16N2O — CID 123444825

IUPACN-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
SMILESCC(=CC(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)
InChIKeyODVNOFBPTKDSOU-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds4

About N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide

N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide (PubChem CID 123444825) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide.

Molecular Properties

Compound NameN-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
PubChem CID123444825
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
SMILESCC(=CC(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)
InChIKeyODVNOFBPTKDSOU-UHFFFAOYSA-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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Related Compounds

N-[(3E,5Z)-4-fluoro-5-methylhepta-1,3,5-trien-2-yl]formamide
CID 89215008
N-[(1Z,3E,5Z)-3-[[(2R)-2-aminopropyl]amino]-1-fluoro-5-methylhepta-1,3,5-trien-2-yl]formamide
CID 144684463
N-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]formamide;(1E,3Z)-N-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 145312586
N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
CID 57194411
N-[(3Z,5Z)-6-amino-4,5-dimethylhexa-1,3,5-trien-2-yl]acetamide
CID 89204123
N-[(2Z,4E)-hepta-2,4-dien-4-yl]formamide
CID 89214733
N-[3-(dimethylamino)hepta-3,5-dienyl]formamide
CID 123139611
N-[2-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]ethyl]formamide
CID 130444106
N-[(1E,3Z,6Z,8Z)-2-amino-6-ethenyldeca-1,3,6,8-tetraenyl]formamide
CID 134502576
N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
CID 134525628
N-methyl-N-[(3E,5Z)-5-methyl-3-(methylamino)nona-1,3,5-trien-2-yl]formamide
CID 134567557
N-[3-methyl-7-(methylamino)cyclohepta-1,3,6-trien-1-yl]formamide
CID 137427658

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide?
The IUPAC name of N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide (CID 123444825) is N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide.
What is the SMILES notation for N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide?
The canonical SMILES for N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide is CC(=CC(C)=C(C)CN)NC=O.
What is the InChIKey of N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide?
The InChIKey is ODVNOFBPTKDSOU-UHFFFAOYSA-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).
What are the key properties of N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide?
N-(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-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide is sourced from PubChem (CID 123444825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).