N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine

C16H25NO — CID 115704394

IUPACN-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCCNC1CCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-3-12-18-13-6-11-17-16-10-9-14-7-4-5-8-15(14)16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3
InChIKeyQANVJZHJOMDRJM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds8

About N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine

N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 115704394) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID115704394
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCCNC1CCc2ccccc21
InChIInChI=1S/C16H25NO/c1-2-3-12-18-13-6-11-17-16-10-9-14-7-4-5-8-15(14)16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3
InChIKeyQANVJZHJOMDRJM-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
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

6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
N-(2-butoxyethyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61170504
1-butyl-2-(2,3-dihydro-1H-inden-1-yl)hydrazine
CID 67763645
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
3-(2-butoxyethylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313208
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43207352

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine (CID 115704394) is N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine is CCCCOCCCNC1CCc2ccccc21.
What is the InChIKey of N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is QANVJZHJOMDRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-12-18-13-6-11-17-16-10-9-14-7-4-5-8-15(14)16/h4-5,7-8,16-17H,2-3,6,9-13H2,1H3.
What are the key properties of N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine?
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115704394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).