(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine

C14H20N2 — CID 103091685

IUPAC(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
SMILESC/C(=C\c1ccc2c(c1)CCN2C)C(C)N
InChIInChI=1S/C14H20N2/c1-10(11(2)15)8-12-4-5-14-13(9-12)6-7-16(14)3/h4-5,8-9,11H,6-7,15H2,1-3H3/b10-8+
InChIKeyZYHWVXJFRIFEBI-CSKARUKUSA-N
MW216.33 g/mol
LogP2.43
Rot. Bonds2

About (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine

(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine (PubChem CID 103091685) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
PubChem CID103091685
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine
SMILESC/C(=C\c1ccc2c(c1)CCN2C)C(C)N
InChIInChI=1S/C14H20N2/c1-10(11(2)15)8-12-4-5-14-13(9-12)6-7-16(14)3/h4-5,8-9,11H,6-7,15H2,1-3H3/b10-8+
InChIKeyZYHWVXJFRIFEBI-CSKARUKUSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine?
The IUPAC name of (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine (CID 103091685) is (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine is C/C(=C\c1ccc2c(c1)CCN2C)C(C)N.
What is the InChIKey of (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine?
The InChIKey is ZYHWVXJFRIFEBI-CSKARUKUSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(11(2)15)8-12-4-5-14-13(9-12)6-7-16(14)3/h4-5,8-9,11H,6-7,15H2,1-3H3/b10-8+.
What are the key properties of (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine?
(E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-(1-methyl-2,3-dihydroindol-5-yl)but-3-en-2-amine is sourced from PubChem (CID 103091685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).