N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine

C16H20N2 — CID 167106095

IUPACN-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine
SMILESC=C1CCC(NCC)C2=Nc3ccccc3C12C
InChIInChI=1S/C16H20N2/c1-4-17-14-10-9-11(2)16(3)12-7-5-6-8-13(12)18-15(14)16/h5-8,14,17H,2,4,9-10H2,1,3H3
InChIKeyGPRMEYBGYKKMLK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.36
Rot. Bonds2

About N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine

N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine (PubChem CID 167106095) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine
PubChem CID167106095
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine
SMILESC=C1CCC(NCC)C2=Nc3ccccc3C12C
InChIInChI=1S/C16H20N2/c1-4-17-14-10-9-11(2)16(3)12-7-5-6-8-13(12)18-15(14)16/h5-8,14,17H,2,4,9-10H2,1,3H3
InChIKeyGPRMEYBGYKKMLK-UHFFFAOYSA-N
XLogP3.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine?
The IUPAC name of N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine (CID 167106095) is N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine.
What is the SMILES notation for N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine?
The canonical SMILES for N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine is C=C1CCC(NCC)C2=Nc3ccccc3C12C.
What is the InChIKey of N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine?
The InChIKey is GPRMEYBGYKKMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-4-17-14-10-9-11(2)16(3)12-7-5-6-8-13(12)18-15(14)16/h5-8,14,17H,2,4,9-10H2,1,3H3.
What are the key properties of N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine?
N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4a-methyl-4-methylidene-2,3-dihydro-1H-carbazol-1-amine is sourced from PubChem (CID 167106095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).