1-butyl-N,N-dimethylindol-5-amine

C14H20N2 — CID 129132176

IUPAC1-butyl-N,N-dimethylindol-5-amine
SMILESCCCCn1ccc2cc(N(C)C)ccc21
InChIInChI=1S/C14H20N2/c1-4-5-9-16-10-8-12-11-13(15(2)3)6-7-14(12)16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyMRZSVLUCLBEILG-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.51
Rot. Bonds4

About 1-butyl-N,N-dimethylindol-5-amine

1-butyl-N,N-dimethylindol-5-amine (PubChem CID 129132176) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-butyl-N,N-dimethylindol-5-amine.

Molecular Properties

Compound Name1-butyl-N,N-dimethylindol-5-amine
PubChem CID129132176
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-butyl-N,N-dimethylindol-5-amine
SMILESCCCCn1ccc2cc(N(C)C)ccc21
InChIInChI=1S/C14H20N2/c1-4-5-9-16-10-8-12-11-13(15(2)3)6-7-14(12)16/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyMRZSVLUCLBEILG-UHFFFAOYSA-N
XLogP3.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N,N-dimethylindol-5-amine?
The IUPAC name of 1-butyl-N,N-dimethylindol-5-amine (CID 129132176) is 1-butyl-N,N-dimethylindol-5-amine.
What is the SMILES notation for 1-butyl-N,N-dimethylindol-5-amine?
The canonical SMILES for 1-butyl-N,N-dimethylindol-5-amine is CCCCn1ccc2cc(N(C)C)ccc21.
What is the InChIKey of 1-butyl-N,N-dimethylindol-5-amine?
The InChIKey is MRZSVLUCLBEILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-5-9-16-10-8-12-11-13(15(2)3)6-7-14(12)16/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 1-butyl-N,N-dimethylindol-5-amine?
1-butyl-N,N-dimethylindol-5-amine has a molecular weight of 216.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N,N-dimethylindol-5-amine is sourced from PubChem (CID 129132176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).