4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine

C16H24N2 — CID 174292093

IUPAC4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine
SMILESCC(C)C1=CCCC2(C)C3=C(CCC=C3)N(N)C12
InChIInChI=1S/C16H24N2/c1-11(2)12-7-6-10-16(3)13-8-4-5-9-14(13)18(17)15(12)16/h4,7-8,11,15H,5-6,9-10,17H2,1-3H3
InChIKeyDFHCVWKKEAAKLZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.53
Rot. Bonds1

About 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine

4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine (PubChem CID 174292093) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine.

Molecular Properties

Compound Name4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine
PubChem CID174292093
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine
SMILESCC(C)C1=CCCC2(C)C3=C(CCC=C3)N(N)C12
InChIInChI=1S/C16H24N2/c1-11(2)12-7-6-10-16(3)13-8-4-5-9-14(13)18(17)15(12)16/h4,7-8,11,15H,5-6,9-10,17H2,1-3H3
InChIKeyDFHCVWKKEAAKLZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine?
The IUPAC name of 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine (CID 174292093) is 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine.
What is the SMILES notation for 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine?
The canonical SMILES for 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine is CC(C)C1=CCCC2(C)C3=C(CCC=C3)N(N)C12.
What is the InChIKey of 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine?
The InChIKey is DFHCVWKKEAAKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)12-7-6-10-16(3)13-8-4-5-9-14(13)18(17)15(12)16/h4,7-8,11,15H,5-6,9-10,17H2,1-3H3.
What are the key properties of 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine?
4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine has a molecular weight of 244.38 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4b-methyl-8-propan-2-yl-2,5,6,8a-tetrahydro-1H-carbazol-9-amine is sourced from PubChem (CID 174292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).