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

C15H22N2O — CID 114146218

IUPAC3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2c(c1)CCC2NCC1CCC(O)C1
InChIInChI=1S/C15H22N2O/c16-12-3-5-14-11(8-12)2-6-15(14)17-9-10-1-4-13(18)7-10/h3,5,8,10,13,15,17-18H,1-2,4,6-7,9,16H2
InChIKeyVRWVLXGRPLIZEV-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.01
Rot. Bonds3

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

3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 114146218) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
PubChem CID114146218
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2c(c1)CCC2NCC1CCC(O)C1
InChIInChI=1S/C15H22N2O/c16-12-3-5-14-11(8-12)2-6-15(14)17-9-10-1-4-13(18)7-10/h3,5,8,10,13,15,17-18H,1-2,4,6-7,9,16H2
InChIKeyVRWVLXGRPLIZEV-UHFFFAOYSA-N
XLogP2.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 83009052
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
3-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]cyclopentan-1-ol
CID 103271312
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275433
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741947

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol (CID 114146218) is 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol is Nc1ccc2c(c1)CCC2NCC1CCC(O)C1.
What is the InChIKey of 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is VRWVLXGRPLIZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-12-3-5-14-11(8-12)2-6-15(14)17-9-10-1-4-13(18)7-10/h3,5,8,10,13,15,17-18H,1-2,4,6-7,9,16H2.
What are the key properties of 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol?
3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114146218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).