2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide

C16H27N3O — CID 123613729

IUPAC2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
SMILESC=CCC(NC(=O)C(C)(C)C=C/C(C)=N/C)/C(C)=N/C
InChIInChI=1S/C16H27N3O/c1-8-9-14(13(3)18-7)19-15(20)16(4,5)11-10-12(2)17-6/h8,10-11,14H,1,9H2,2-7H3,(H,19,20)/b11-10?,17-12+,18-13+
InChIKeyAHODWMSMWKGVQZ-AAEJVYRUSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds7

About 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide

2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide (PubChem CID 123613729) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide.

Molecular Properties

Compound Name2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
PubChem CID123613729
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
SMILESC=CCC(NC(=O)C(C)(C)C=C/C(C)=N/C)/C(C)=N/C
InChIInChI=1S/C16H27N3O/c1-8-9-14(13(3)18-7)19-15(20)16(4,5)11-10-12(2)17-6/h8,10-11,14H,1,9H2,2-7H3,(H,19,20)/b11-10?,17-12+,18-13+
InChIKeyAHODWMSMWKGVQZ-AAEJVYRUSA-N
XLogP2.81
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
N-[(Z)-2-methyliminopent-3-enyl]acetamide
CID 124182649
(3Z)-N-(2,2-dimethylpropyl)-3-ethylidene-2-methyl-4-methyliminocyclohexa-1,5-diene-1-carboxamide
CID 134189032
N-propan-2-yl-2H-pyrrole-5-carboxamide
CID 134452772
(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide
CID 134479731
N-[(3S,5E)-4-iminonona-5,8-dien-3-yl]-N-methylpropanamide
CID 137466839
N-[(Z)-3-methyliminohept-4-enyl]acetamide
CID 142959972
ethane;N-[(Z)-2-methyliminohex-3-enyl]acetamide
CID 143430516
2,3-dimethyl-N-[(Z)-3-methyliminohept-4-enyl]-2-propan-2-ylbutanamide
CID 144369828
N-ethyl-2-methyl-2,3-dihydropyridine-6-carboxamide
CID 146229409
(Z)-N-ethyl-3-ethyliminohex-4-enamide;molecular hydrogen
CID 154677655
(Z)-3-methylimino-N-propan-2-ylhept-4-enamide
CID 154677754

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide?
The IUPAC name of 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide (CID 123613729) is 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide.
What is the SMILES notation for 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide?
The canonical SMILES for 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide is C=CCC(NC(=O)C(C)(C)C=C/C(C)=N/C)/C(C)=N/C.
What is the InChIKey of 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide?
The InChIKey is AHODWMSMWKGVQZ-AAEJVYRUSA-N. The full InChI is InChI=1S/C16H27N3O/c1-8-9-14(13(3)18-7)19-15(20)16(4,5)11-10-12(2)17-6/h8,10-11,14H,1,9H2,2-7H3,(H,19,20)/b11-10?,17-12+,18-13+.
What are the key properties of 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide?
2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide has a molecular weight of 277.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide is sourced from PubChem (CID 123613729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).