3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol

C15H24N2O — CID 106348823

IUPAC3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H24N2O/c1-10(2)14(7-8-18)17-15-6-3-11-9-12(16)4-5-13(11)15/h4-5,9-10,14-15,17-18H,3,6-8,16H2,1-2H3
InChIKeyLRSPWFCIEWYVSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds5

About 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol (PubChem CID 106348823) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
PubChem CID106348823
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NC1CCc2cc(N)ccc21
InChIInChI=1S/C15H24N2O/c1-10(2)14(7-8-18)17-15-6-3-11-9-12(16)4-5-13(11)15/h4-5,9-10,14-15,17-18H,3,6-8,16H2,1-2H3
InChIKeyLRSPWFCIEWYVSR-UHFFFAOYSA-N
XLogP2.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
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

1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 106348642
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-heptan-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79725171
1-N-(1-methoxypropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79735935
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
1-N-pentan-2-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 107886838
1-N-[(1S)-1-phenylethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 81351089
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
1-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650654
1-N-[1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79724744
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol (CID 106348823) is 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)NC1CCc2cc(N)ccc21.
What is the InChIKey of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol?
The InChIKey is LRSPWFCIEWYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)14(7-8-18)17-15-6-3-11-9-12(16)4-5-13(11)15/h4-5,9-10,14-15,17-18H,3,6-8,16H2,1-2H3.
What are the key properties of 3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol?
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.25, 5 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]-4-methylpentan-1-ol is sourced from PubChem (CID 106348823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).