6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol

C20H27N3O5 — CID 68823305

IUPAC6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2c([nH]c3ccccc32)c1N
InChIInChI=1S/C20H27N3O5/c1-10-7-13(23(2)8-14(25)19(27)20(28)15(26)9-24)16-11-5-3-4-6-12(11)22-18(16)17(10)21/h3-7,14-15,19-20,22,24-28H,8-9,21H2,1-2H3
InChIKeyUGWMWLXIAUQCFD-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.08
Rot. Bonds7

About 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol

6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol (PubChem CID 68823305) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol
PubChem CID68823305
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol
SMILESCc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2c([nH]c3ccccc32)c1N
InChIInChI=1S/C20H27N3O5/c1-10-7-13(23(2)8-14(25)19(27)20(28)15(26)9-24)16-11-5-3-4-6-12(11)22-18(16)17(10)21/h3-7,14-15,19-20,22,24-28H,8-9,21H2,1-2H3
InChIKeyUGWMWLXIAUQCFD-UHFFFAOYSA-N
XLogP0.08
TPSA146.20 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 50.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol (CID 68823305) is 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol is Cc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2c([nH]c3ccccc32)c1N.
What is the InChIKey of 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol?
The InChIKey is UGWMWLXIAUQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-10-7-13(23(2)8-14(25)19(27)20(28)15(26)9-24)16-11-5-3-4-6-12(11)22-18(16)17(10)21/h3-7,14-15,19-20,22,24-28H,8-9,21H2,1-2H3.
What are the key properties of 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol?
6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol has a molecular weight of 389.45 g/mol, XLogP of 0.08, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2-methyl-9H-carbazol-4-yl)-methylamino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 68823305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).