N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C18H26N2O — CID 146600149

IUPACN-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)NC1CCCc2c1[nH]c1ccc(OC(C)C)cc21
InChIInChI=1S/C18H26N2O/c1-11(2)19-17-7-5-6-14-15-10-13(21-12(3)4)8-9-16(15)20-18(14)17/h8-12,17,19-20H,5-7H2,1-4H3
InChIKeyOXYIWEIZVQSALG-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.33
Rot. Bonds4

About N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine

N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 146600149) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID146600149
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)NC1CCCc2c1[nH]c1ccc(OC(C)C)cc21
InChIInChI=1S/C18H26N2O/c1-11(2)19-17-7-5-6-14-15-10-13(21-12(3)4)8-9-16(15)20-18(14)17/h8-12,17,19-20H,5-7H2,1-4H3
InChIKeyOXYIWEIZVQSALG-UHFFFAOYSA-N
XLogP4.33
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 146600149) is N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)NC1CCCc2c1[nH]c1ccc(OC(C)C)cc21.
What is the InChIKey of N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is OXYIWEIZVQSALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11(2)19-17-7-5-6-14-15-10-13(21-12(3)4)8-9-16(15)20-18(14)17/h8-12,17,19-20H,5-7H2,1-4H3.
What are the key properties of N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-propan-2-yloxy-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 146600149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).