N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide

C15H22N2O — CID 170408703

IUPACN,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)=C1C=CC=C(C(=O)N(C)C)/C1=N/C(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)12-8-7-9-13(15(18)17(5)6)14(12)16-11(3)4/h7-9,11H,1-6H3/b16-14+
InChIKeyICOPJMLVXBPKMS-JQIJEIRASA-N
MW246.35 g/mol
LogP2.76
Rot. Bonds2

About N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide

N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide (PubChem CID 170408703) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide
PubChem CID170408703
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)=C1C=CC=C(C(=O)N(C)C)/C1=N/C(C)C
InChIInChI=1S/C15H22N2O/c1-10(2)12-8-7-9-13(15(18)17(5)6)14(12)16-11(3)4/h7-9,11H,1-6H3/b16-14+
InChIKeyICOPJMLVXBPKMS-JQIJEIRASA-N
XLogP2.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide (CID 170408703) is N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide is CC(C)=C1C=CC=C(C(=O)N(C)C)/C1=N/C(C)C.
What is the InChIKey of N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is ICOPJMLVXBPKMS-JQIJEIRASA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)12-8-7-9-13(15(18)17(5)6)14(12)16-11(3)4/h7-9,11H,1-6H3/b16-14+.
What are the key properties of N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide?
N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-propan-2-ylidene-6-propan-2-yliminocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 170408703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).