N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine

C18H27N — CID 98016854

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
SMILESc1cc2c(cc1CCCCNC1CCCC1)CCC2
InChIInChI=1S/C18H27N/c1-2-10-18(9-1)19-13-4-3-6-15-11-12-16-7-5-8-17(16)14-15/h11-12,14,18-19H,1-10,13H2
InChIKeyQBJSBTUYJOQNQJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.03
Rot. Bonds6

About N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine

N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine (PubChem CID 98016854) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
PubChem CID98016854
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
SMILESc1cc2c(cc1CCCCNC1CCCC1)CCC2
InChIInChI=1S/C18H27N/c1-2-10-18(9-1)19-13-4-3-6-15-11-12-16-7-5-8-17(16)14-15/h11-12,14,18-19H,1-10,13H2
InChIKeyQBJSBTUYJOQNQJ-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
N-[4-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308901
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine (CID 98016854) is N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine is c1cc2c(cc1CCCCNC1CCCC1)CCC2.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine?
The InChIKey is QBJSBTUYJOQNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-10-18(9-1)19-13-4-3-6-15-11-12-16-7-5-8-17(16)14-15/h11-12,14,18-19H,1-10,13H2.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine?
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine has a molecular weight of 257.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine is sourced from PubChem (CID 98016854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).