1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine

C17H27N — CID 65403398

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1CCc2ccccc21
InChIInChI=1S/C17H27N/c1-4-11-18-17(12-13(2)3)16-10-9-14-7-5-6-8-15(14)16/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyYASDCQVUWDWRRJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine

1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine (PubChem CID 65403398) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
PubChem CID65403398
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C1CCc2ccccc21
InChIInChI=1S/C17H27N/c1-4-11-18-17(12-13(2)3)16-10-9-14-7-5-6-8-15(14)16/h5-8,13,16-18H,4,9-12H2,1-3H3
InChIKeyYASDCQVUWDWRRJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039008
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83174956
N-[1-(2,3-dihydro-1H-inden-1-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107049594
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]propan-1-amine
CID 65403400
N-[2,3-dihydro-1H-inden-1-yl-(4-methylphenyl)methyl]propan-1-amine
CID 65404182
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
2,2-dimethyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-amine
CID 55188342
1-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79575248
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-propylbut-3-yn-1-amine
CID 114977863
N-[cyclohexyl(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63418251

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine (CID 65403398) is 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is YASDCQVUWDWRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-11-18-17(12-13(2)3)16-10-9-14-7-5-6-8-15(14)16/h5-8,13,16-18H,4,9-12H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 65403398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).