1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine

C16H29N3 — CID 59798709

IUPAC1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
SMILESCc1cc(CN(C)C)c(CN(C)C)c(CN(C)C)c1
InChIInChI=1S/C16H29N3/c1-13-8-14(10-17(2)3)16(12-19(6)7)15(9-13)11-18(4)5/h8-9H,10-12H2,1-7H3
InChIKeyKQMAPNXOBUZKQQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.18
Rot. Bonds6

About 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine

1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine (PubChem CID 59798709) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
PubChem CID59798709
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
SMILESCc1cc(CN(C)C)c(CN(C)C)c(CN(C)C)c1
InChIInChI=1S/C16H29N3/c1-13-8-14(10-17(2)3)16(12-19(6)7)15(9-13)11-18(4)5/h8-9H,10-12H2,1-7H3
InChIKeyKQMAPNXOBUZKQQ-UHFFFAOYSA-N
XLogP2.18
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine (CID 59798709) is 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine is Cc1cc(CN(C)C)c(CN(C)C)c(CN(C)C)c1.
What is the InChIKey of 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine?
The InChIKey is KQMAPNXOBUZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-8-14(10-17(2)3)16(12-19(6)7)15(9-13)11-18(4)5/h8-9H,10-12H2,1-7H3.
What are the key properties of 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine?
1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59798709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).