1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine

C15H28N2O — CID 144892402

IUPAC1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOC1=CC(CN(C)C)C(C)CC(CN(C)C)=C1
InChIInChI=1S/C15H28N2O/c1-12-7-13(10-16(2)3)8-15(18-6)9-14(12)11-17(4)5/h8-9,12,14H,7,10-11H2,1-6H3
InChIKeyYDYDVYKHDSLVMN-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.22
Rot. Bonds5

About 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine

1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 144892402) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID144892402
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCOC1=CC(CN(C)C)C(C)CC(CN(C)C)=C1
InChIInChI=1S/C15H28N2O/c1-12-7-13(10-16(2)3)8-15(18-6)9-14(12)11-17(4)5/h8-9,12,14H,7,10-11H2,1-6H3
InChIKeyYDYDVYKHDSLVMN-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine (CID 144892402) is 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine is COC1=CC(CN(C)C)C(C)CC(CN(C)C)=C1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is YDYDVYKHDSLVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-7-13(10-16(2)3)8-15(18-6)9-14(12)11-17(4)5/h8-9,12,14H,7,10-11H2,1-6H3.
What are the key properties of 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 252.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-3-methoxy-7-methylcyclohepta-2,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 144892402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).