(1-methylindol-3-yl)methanamine

C10H12N2 — CID 3934542

IUPAC(1-methylindol-3-yl)methanamine
SMILESCn1cc(CN)c2ccccc21
InChIInChI=1S/C10H12N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3
InChIKeyNOFZMDGMQKRLIV-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.64
Rot. Bonds1

About (1-methylindol-3-yl)methanamine

(1-methylindol-3-yl)methanamine (PubChem CID 3934542) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1-methylindol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylindol-3-yl)methanamine
PubChem CID3934542
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(1-methylindol-3-yl)methanamine
SMILESCn1cc(CN)c2ccccc21
InChIInChI=1S/C10H12N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3
InChIKeyNOFZMDGMQKRLIV-UHFFFAOYSA-N
XLogP1.64
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)methanamine?
The IUPAC name of (1-methylindol-3-yl)methanamine (CID 3934542) is (1-methylindol-3-yl)methanamine.
What is the SMILES notation for (1-methylindol-3-yl)methanamine?
The canonical SMILES for (1-methylindol-3-yl)methanamine is Cn1cc(CN)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)methanamine?
The InChIKey is NOFZMDGMQKRLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3.
What are the key properties of (1-methylindol-3-yl)methanamine?
(1-methylindol-3-yl)methanamine has a molecular weight of 160.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)methanamine is sourced from PubChem (CID 3934542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).