N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide

C15H29N3 — CID 155696644

IUPACN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide
SMILESC=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C
InChIInChI=1S/C15H29N3/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4/h12H,1,7-11H2,2-6H3,(H,16,17)/b14-12+
InChIKeyISJBKVQKWTWRLW-WYMLVPIESA-N
MW251.42 g/mol
LogP3.21
Rot. Bonds8

About N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide

N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide (PubChem CID 155696644) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide
PubChem CID155696644
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide
SMILESC=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C
InChIInChI=1S/C15H29N3/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4/h12H,1,7-11H2,2-6H3,(H,16,17)/b14-12+
InChIKeyISJBKVQKWTWRLW-WYMLVPIESA-N
XLogP3.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide?
The IUPAC name of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide (CID 155696644) is N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide?
The canonical SMILES for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide is C=C(/C=C(\C)N/C(C)=N/C)CCCCCN(C)C.
What is the InChIKey of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide?
The InChIKey is ISJBKVQKWTWRLW-WYMLVPIESA-N. The full InChI is InChI=1S/C15H29N3/c1-13(10-8-7-9-11-18(5)6)12-14(2)17-15(3)16-4/h12H,1,7-11H2,2-6H3,(H,16,17)/b14-12+.
What are the key properties of N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide?
N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide has a molecular weight of 251.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-9-(dimethylamino)-4-methylidenenon-2-en-2-yl]-N'-methylethanimidamide is sourced from PubChem (CID 155696644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).