N-[(1,7-dimethylindol-2-yl)methyl]ethanamine

C13H18N2 — CID 117186537

IUPACN-[(1,7-dimethylindol-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(C)c2n1C
InChIInChI=1S/C13H18N2/c1-4-14-9-12-8-11-7-5-6-10(2)13(11)15(12)3/h5-8,14H,4,9H2,1-3H3
InChIKeyJWIDOJZPNQWXOZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.60
Rot. Bonds3

About N-[(1,7-dimethylindol-2-yl)methyl]ethanamine

N-[(1,7-dimethylindol-2-yl)methyl]ethanamine (PubChem CID 117186537) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(1,7-dimethylindol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,7-dimethylindol-2-yl)methyl]ethanamine
PubChem CID117186537
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(1,7-dimethylindol-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cccc(C)c2n1C
InChIInChI=1S/C13H18N2/c1-4-14-9-12-8-11-7-5-6-10(2)13(11)15(12)3/h5-8,14H,4,9H2,1-3H3
InChIKeyJWIDOJZPNQWXOZ-UHFFFAOYSA-N
XLogP2.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylindol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(1,7-dimethylindol-2-yl)methyl]ethanamine (CID 117186537) is N-[(1,7-dimethylindol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1,7-dimethylindol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(1,7-dimethylindol-2-yl)methyl]ethanamine is CCNCc1cc2cccc(C)c2n1C.
What is the InChIKey of N-[(1,7-dimethylindol-2-yl)methyl]ethanamine?
The InChIKey is JWIDOJZPNQWXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-14-9-12-8-11-7-5-6-10(2)13(11)15(12)3/h5-8,14H,4,9H2,1-3H3.
What are the key properties of N-[(1,7-dimethylindol-2-yl)methyl]ethanamine?
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylindol-2-yl)methyl]ethanamine is sourced from PubChem (CID 117186537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).