3-(1-methylindol-7-yl)butan-1-amine

C13H18N2 — CID 82608277

IUPAC3-(1-methylindol-7-yl)butan-1-amine
SMILESCC(CCN)c1cccc2ccn(C)c12
InChIInChI=1S/C13H18N2/c1-10(6-8-14)12-5-3-4-11-7-9-15(2)13(11)12/h3-5,7,9-10H,6,8,14H2,1-2H3
InChIKeyDTRDISVYKSWRMF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.63
Rot. Bonds3

About 3-(1-methylindol-7-yl)butan-1-amine

3-(1-methylindol-7-yl)butan-1-amine (PubChem CID 82608277) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(1-methylindol-7-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1-methylindol-7-yl)butan-1-amine
PubChem CID82608277
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-(1-methylindol-7-yl)butan-1-amine
SMILESCC(CCN)c1cccc2ccn(C)c12
InChIInChI=1S/C13H18N2/c1-10(6-8-14)12-5-3-4-11-7-9-15(2)13(11)12/h3-5,7,9-10H,6,8,14H2,1-2H3
InChIKeyDTRDISVYKSWRMF-UHFFFAOYSA-N
XLogP2.63
TPSA30.95 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-7-yl)butan-1-amine?
The IUPAC name of 3-(1-methylindol-7-yl)butan-1-amine (CID 82608277) is 3-(1-methylindol-7-yl)butan-1-amine.
What is the SMILES notation for 3-(1-methylindol-7-yl)butan-1-amine?
The canonical SMILES for 3-(1-methylindol-7-yl)butan-1-amine is CC(CCN)c1cccc2ccn(C)c12.
What is the InChIKey of 3-(1-methylindol-7-yl)butan-1-amine?
The InChIKey is DTRDISVYKSWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(6-8-14)12-5-3-4-11-7-9-15(2)13(11)12/h3-5,7,9-10H,6,8,14H2,1-2H3.
What are the key properties of 3-(1-methylindol-7-yl)butan-1-amine?
3-(1-methylindol-7-yl)butan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-7-yl)butan-1-amine is sourced from PubChem (CID 82608277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).