propane;N-prop-1-en-2-yl-1H-indol-4-amine

C14H20N2 — CID 143997760

IUPACpropane;N-prop-1-en-2-yl-1H-indol-4-amine
SMILESC=C(C)Nc1cccc2[nH]ccc12.CCC
InChIInChI=1S/C11H12N2.C3H8/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10;1-3-2/h3-7,12-13H,1H2,2H3;3H2,1-2H3
InChIKeyGDGAVZHJXBIDFF-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.53
Rot. Bonds2

About propane;N-prop-1-en-2-yl-1H-indol-4-amine

propane;N-prop-1-en-2-yl-1H-indol-4-amine (PubChem CID 143997760) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is propane;N-prop-1-en-2-yl-1H-indol-4-amine.

Molecular Properties

Compound Namepropane;N-prop-1-en-2-yl-1H-indol-4-amine
PubChem CID143997760
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Namepropane;N-prop-1-en-2-yl-1H-indol-4-amine
SMILESC=C(C)Nc1cccc2[nH]ccc12.CCC
InChIInChI=1S/C11H12N2.C3H8/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10;1-3-2/h3-7,12-13H,1H2,2H3;3H2,1-2H3
InChIKeyGDGAVZHJXBIDFF-UHFFFAOYSA-N
XLogP4.53
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;N-prop-1-en-2-yl-1H-indol-4-amine?
The IUPAC name of propane;N-prop-1-en-2-yl-1H-indol-4-amine (CID 143997760) is propane;N-prop-1-en-2-yl-1H-indol-4-amine.
What is the SMILES notation for propane;N-prop-1-en-2-yl-1H-indol-4-amine?
The canonical SMILES for propane;N-prop-1-en-2-yl-1H-indol-4-amine is C=C(C)Nc1cccc2[nH]ccc12.CCC.
What is the InChIKey of propane;N-prop-1-en-2-yl-1H-indol-4-amine?
The InChIKey is GDGAVZHJXBIDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.C3H8/c1-8(2)13-11-5-3-4-10-9(11)6-7-12-10;1-3-2/h3-7,12-13H,1H2,2H3;3H2,1-2H3.
What are the key properties of propane;N-prop-1-en-2-yl-1H-indol-4-amine?
propane;N-prop-1-en-2-yl-1H-indol-4-amine has a molecular weight of 216.33 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;N-prop-1-en-2-yl-1H-indol-4-amine is sourced from PubChem (CID 143997760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).