7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine

C13H18N2 — CID 163682465

IUPAC7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine
SMILESCC1=CC=C2C(C1)NC1C(N)CC=CC21
InChIInChI=1S/C13H18N2/c1-8-5-6-9-10-3-2-4-11(14)13(10)15-12(9)7-8/h2-3,5-6,10-13,15H,4,7,14H2,1H3
InChIKeyJLYUWGGCRFEBSS-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds

About 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine

7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine (PubChem CID 163682465) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine
PubChem CID163682465
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine
SMILESCC1=CC=C2C(C1)NC1C(N)CC=CC21
InChIInChI=1S/C13H18N2/c1-8-5-6-9-10-3-2-4-11(14)13(10)15-12(9)7-8/h2-3,5-6,10-13,15H,4,7,14H2,1H3
InChIKeyJLYUWGGCRFEBSS-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
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 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine?
The IUPAC name of 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine (CID 163682465) is 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine.
What is the SMILES notation for 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine?
The canonical SMILES for 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine is CC1=CC=C2C(C1)NC1C(N)CC=CC21.
What is the InChIKey of 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine?
The InChIKey is JLYUWGGCRFEBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8-5-6-9-10-3-2-4-11(14)13(10)15-12(9)7-8/h2-3,5-6,10-13,15H,4,7,14H2,1H3.
What are the key properties of 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine?
7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4a,8,8a,9,9a-hexahydro-1H-carbazol-1-amine is sourced from PubChem (CID 163682465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).