1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine

C15H23NO — CID 65092625

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-17-9-3-6-15(16)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10,15H,2-6,9,11,16H2,1H3
InChIKeyZKSHZILAZSKCMT-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.47
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine (PubChem CID 65092625) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
PubChem CID65092625
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
SMILESCOCCCC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H23NO/c1-17-9-3-6-15(16)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10,15H,2-6,9,11,16H2,1H3
InChIKeyZKSHZILAZSKCMT-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(2,3-dihydro-1H-inden-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105152473
1-(cyclohexen-1-yl)-5-methoxypentan-2-amine
CID 114857019
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
CID 116760450
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
1-(2,3-dihydro-1H-inden-5-yl)-5-ethoxy-N-ethylpentan-2-amine
CID 105152368
2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine (CID 65092625) is 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine is COCCCC(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine?
The InChIKey is ZKSHZILAZSKCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-17-9-3-6-15(16)11-12-7-8-13-4-2-5-14(13)10-12/h7-8,10,15H,2-6,9,11,16H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine is sourced from PubChem (CID 65092625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).