4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol

C19H29NO — CID 65077468

IUPAC4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29NO/c1-2-11-20-12-4-9-19(21,10-13-20)15-16-7-8-17-5-3-6-18(17)14-16/h7-8,14,21H,2-6,9-13,15H2,1H3
InChIKeyLKVKFTSBRCQMAG-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.34
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol

4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol (PubChem CID 65077468) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
PubChem CID65077468
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol
SMILESCCCN1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29NO/c1-2-11-20-12-4-9-19(21,10-13-20)15-16-7-8-17-5-3-6-18(17)14-16/h7-8,14,21H,2-6,9-13,15H2,1H3
InChIKeyLKVKFTSBRCQMAG-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol (CID 65077468) is 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol is CCCN1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol?
The InChIKey is LKVKFTSBRCQMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-11-20-12-4-9-19(21,10-13-20)15-16-7-8-17-5-3-6-18(17)14-16/h7-8,14,21H,2-6,9-13,15H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol?
4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol has a molecular weight of 287.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylmethyl)-1-propylazepan-4-ol is sourced from PubChem (CID 65077468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).