1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol

C14H22N2O — CID 113492094

IUPAC1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1CCc2cc(N)ccc21
InChIInChI=1S/C14H22N2O/c1-9(2)14(17)8-16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13-14,16-17H,3,6,8,15H2,1-2H3
InChIKeyZNIQWHPIGGAGTB-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds4

About 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol

1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol (PubChem CID 113492094) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
PubChem CID113492094
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC1CCc2cc(N)ccc21
InChIInChI=1S/C14H22N2O/c1-9(2)14(17)8-16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13-14,16-17H,3,6,8,15H2,1-2H3
InChIKeyZNIQWHPIGGAGTB-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737102
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
(2R)-1-[[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]amino]propan-2-ol
CID 97357898
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275433
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol (CID 113492094) is 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNC1CCc2cc(N)ccc21.
What is the InChIKey of 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol?
The InChIKey is ZNIQWHPIGGAGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9(2)14(17)8-16-13-6-3-10-7-11(15)4-5-12(10)13/h4-5,7,9,13-14,16-17H,3,6,8,15H2,1-2H3.
What are the key properties of 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol?
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 113492094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).