ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide

C10H18N2O — CID 143895839

IUPACethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide
SMILESC=C/C=C(\C(=C)C)N(C)N=O.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-5-6-8(7(2)3)10(4)9-11;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b8-6+;
InChIKeySBJSPGOUNQZDEA-WVLIHFOGSA-N
MW182.27 g/mol
LogP3.27
Rot. Bonds4

About ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide

ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide (PubChem CID 143895839) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide
PubChem CID143895839
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide
SMILESC=C/C=C(\C(=C)C)N(C)N=O.CC
InChIInChI=1S/C8H12N2O.C2H6/c1-5-6-8(7(2)3)10(4)9-11;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b8-6+;
InChIKeySBJSPGOUNQZDEA-WVLIHFOGSA-N
XLogP3.27
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-4-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylnitrous amide
CID 167028599
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
1-methyl-1-[(3E,5Z)-7-methylocta-3,5,7-trien-4-yl]hydrazine
CID 129065984
1-[(3E)-hexa-3,5-dien-3-yl]-2-methoxy-1,2-dimethylhydrazine
CID 134257845
1-[(3E)-hexa-3,5-dien-3-yl]-1,2,2-trimethylhydrazine
CID 134257846
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
CID 143325340
ethane;1-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-2-methyl-3H-pyrazole
CID 143596132
1-[(3Z)-hexa-1,3-dien-2-yl]-1,2,2-trimethylhydrazine
CID 146561432
(3E,5Z)-N,2-dimethyl-N-(methylideneamino)hepta-1,3,5-trien-3-amine
CID 166168982
1-methyl-1-[(3Z)-2-methyl-5-methylidenehepta-1,3,6-trien-3-yl]hydrazine
CID 166837070
1-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-2,2-dimethyl-1-prop-1-en-2-ylhydrazine
CID 166907305
1-[(3Z)-hexa-1,3,5-trien-2-yl]-1,2-dimethyl-2-[(Z)-2-methylhex-3-en-2-yl]hydrazine
CID 167201274

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide?
The IUPAC name of ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide (CID 143895839) is ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide.
What is the SMILES notation for ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide?
The canonical SMILES for ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide is C=C/C=C(\C(=C)C)N(C)N=O.CC.
What is the InChIKey of ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide?
The InChIKey is SBJSPGOUNQZDEA-WVLIHFOGSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-5-6-8(7(2)3)10(4)9-11;1-2/h5-6H,1-2H2,3-4H3;1-2H3/b8-6+;.
What are the key properties of ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide?
ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide has a molecular weight of 182.27 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(3E)-2-methylhexa-1,3,5-trien-3-yl]nitrous amide is sourced from PubChem (CID 143895839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).