1,3,3-trimethyl-2-methylideneindol-5-amine

C12H16N2 — CID 10932203

IUPAC1,3,3-trimethyl-2-methylideneindol-5-amine
SMILESC=C1N(C)c2ccc(N)cc2C1(C)C
InChIInChI=1S/C12H16N2/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1,13H2,2-4H3
InChIKeyWHPVQSTYFPPYCQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.51
Rot. Bonds

About 1,3,3-trimethyl-2-methylideneindol-5-amine

1,3,3-trimethyl-2-methylideneindol-5-amine (PubChem CID 10932203) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylideneindol-5-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylideneindol-5-amine
PubChem CID10932203
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,3,3-trimethyl-2-methylideneindol-5-amine
SMILESC=C1N(C)c2ccc(N)cc2C1(C)C
InChIInChI=1S/C12H16N2/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1,13H2,2-4H3
InChIKeyWHPVQSTYFPPYCQ-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylideneindol-5-amine?
The IUPAC name of 1,3,3-trimethyl-2-methylideneindol-5-amine (CID 10932203) is 1,3,3-trimethyl-2-methylideneindol-5-amine.
What is the SMILES notation for 1,3,3-trimethyl-2-methylideneindol-5-amine?
The canonical SMILES for 1,3,3-trimethyl-2-methylideneindol-5-amine is C=C1N(C)c2ccc(N)cc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylideneindol-5-amine?
The InChIKey is WHPVQSTYFPPYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1,13H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylideneindol-5-amine?
1,3,3-trimethyl-2-methylideneindol-5-amine has a molecular weight of 188.27 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylideneindol-5-amine is sourced from PubChem (CID 10932203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).