9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine

C13H18N2 — CID 83832116

IUPAC9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine
SMILESCN1c2ccccc2C2CC(N)CCC21
InChIInChI=1S/C13H18N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-5,9,11,13H,6-8,14H2,1H3
InChIKeyMAZBTEBIFUJNOS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.10
Rot. Bonds

About 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine

9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine (PubChem CID 83832116) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine.

Molecular Properties

Compound Name9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine
PubChem CID83832116
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine
SMILESCN1c2ccccc2C2CC(N)CCC21
InChIInChI=1S/C13H18N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-5,9,11,13H,6-8,14H2,1H3
InChIKeyMAZBTEBIFUJNOS-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine?
The IUPAC name of 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine (CID 83832116) is 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine.
What is the SMILES notation for 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine?
The canonical SMILES for 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine is CN1c2ccccc2C2CC(N)CCC21.
What is the InChIKey of 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine?
The InChIKey is MAZBTEBIFUJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-15-12-5-3-2-4-10(12)11-8-9(14)6-7-13(11)15/h2-5,9,11,13H,6-8,14H2,1H3.
What are the key properties of 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine?
9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine is sourced from PubChem (CID 83832116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).