7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C18H28N2O — CID 114947818

IUPAC7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1ccc(N(C)CC2(N)C3CCCOC3C2(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-14(10-8-13)20(4)12-18(19)15-6-5-11-21-16(15)17(18,2)3/h7-10,15-16H,5-6,11-12,19H2,1-4H3
InChIKeyCJOMAMXQIPMBDZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.96
Rot. Bonds3

About 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947818) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947818
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCc1ccc(N(C)CC2(N)C3CCCOC3C2(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-13-7-9-14(10-8-13)20(4)12-18(19)15-6-5-11-21-16(15)17(18,2)3/h7-10,15-16H,5-6,11-12,19H2,1-4H3
InChIKeyCJOMAMXQIPMBDZ-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[[2-(4-phenyl-2-propan-2-yloxan-4-yl)ethylamino]methyl]aniline
CID 2946332
4-(((2-(4-isopentyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethyl)amino)methyl)-N,N-dimethylaniline
CID 3749065
2,6-diisopropyl-N-[4-(dimethylamino)benzyl]-tetrahydro-2h-pyran-4-amine
CID 128963096
2,6-diisopropyl-N-[4-(dimethylamino)benzyl]-tetrahydro-2h-pyran-4-amine hydrochloride
CID 134693445
N-(2-fluoro-4-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863033
8,8-dimethyl-N-[4-(trifluoromethyl)phenyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64864956
N-(3-fluoro-4-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 64865155
8-N-[4-(trifluoromethyl)phenyl]-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66210591
4-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-3-fluorobenzonitrile
CID 79033420
N-(2,5-difluoro-4-methylphenyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 103584683
6-[(N-ethyl-3-fluoroanilino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947768
7-[(4-fluoro-N-methylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947793

Frequently Asked Questions

What is the IUPAC name of 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947818) is 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is Cc1ccc(N(C)CC2(N)C3CCCOC3C2(C)C)cc1.
What is the InChIKey of 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is CJOMAMXQIPMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-7-9-14(10-8-13)20(4)12-18(19)15-6-5-11-21-16(15)17(18,2)3/h7-10,15-16H,5-6,11-12,19H2,1-4H3.
What are the key properties of 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 288.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(N,4-dimethylanilino)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).