N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C14H18N2 — CID 65333869

IUPACN,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNC1CCCc2c1[nH]c1c(C)cccc21
InChIInChI=1S/C14H18N2/c1-9-5-3-6-10-11-7-4-8-12(15-2)14(11)16-13(9)10/h3,5-6,12,15-16H,4,7-8H2,1-2H3
InChIKeyDJJBUWRKQGLFDO-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.07
Rot. Bonds1

About N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 65333869) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID65333869
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCNC1CCCc2c1[nH]c1c(C)cccc21
InChIInChI=1S/C14H18N2/c1-9-5-3-6-10-11-7-4-8-12(15-2)14(11)16-13(9)10/h3,5-6,12,15-16H,4,7-8H2,1-2H3
InChIKeyDJJBUWRKQGLFDO-UHFFFAOYSA-N
XLogP3.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 65333869) is N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CNC1CCCc2c1[nH]c1c(C)cccc21.
What is the InChIKey of N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is DJJBUWRKQGLFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-5-3-6-10-11-7-4-8-12(15-2)14(11)16-13(9)10/h3,5-6,12,15-16H,4,7-8H2,1-2H3.
What are the key properties of N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 65333869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).