1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol

C16H24N2O — CID 57402933

IUPAC1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1c2ccccc2C2CCCCC21
InChIInChI=1S/C16H24N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,14,16-17,19H,3,5,7,9-11H2,1H3
InChIKeyCLEGTFPJUAEKOX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.11
Rot. Bonds4

About 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol

1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol (PubChem CID 57402933) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol
PubChem CID57402933
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CN1c2ccccc2C2CCCCC21
InChIInChI=1S/C16H24N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,14,16-17,19H,3,5,7,9-11H2,1H3
InChIKeyCLEGTFPJUAEKOX-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol (CID 57402933) is 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol is CNCC(O)CN1c2ccccc2C2CCCCC21.
What is the InChIKey of 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol?
The InChIKey is CLEGTFPJUAEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,14,16-17,19H,3,5,7,9-11H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol?
1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,9a-hexahydrocarbazol-9-yl)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 57402933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).