1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

C19H28N2O — CID 56930789

IUPAC1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCCCCNCC(O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C19H28N2O/c1-2-3-12-20-13-15(22)14-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4,6,8,10,15,20,22H,2-3,5,7,9,11-14H2,1H3
InChIKeyVTNKXNAIJLISBW-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.27
Rot. Bonds7

About 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol

1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (PubChem CID 56930789) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
PubChem CID56930789
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
SMILESCCCCNCC(O)Cn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C19H28N2O/c1-2-3-12-20-13-15(22)14-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4,6,8,10,15,20,22H,2-3,5,7,9,11-14H2,1H3
InChIKeyVTNKXNAIJLISBW-UHFFFAOYSA-N
XLogP3.27
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol (CID 56930789) is 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is CCCCNCC(O)Cn1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
The InChIKey is VTNKXNAIJLISBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-3-12-20-13-15(22)14-21-18-10-6-4-8-16(18)17-9-5-7-11-19(17)21/h4,6,8,10,15,20,22H,2-3,5,7,9,11-14H2,1H3.
What are the key properties of 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol?
1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol has a molecular weight of 300.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 56930789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).