N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine

C18H27NO — CID 63516362

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
SMILESc1cc2c(cc1OCCNC1CCCCCC1)CCC2
InChIInChI=1S/C18H27NO/c1-2-4-9-17(8-3-1)19-12-13-20-18-11-10-15-6-5-7-16(15)14-18/h10-11,14,17,19H,1-9,12-13H2
InChIKeyNATQIDIYEJMRHJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.87
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine (PubChem CID 63516362) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
PubChem CID63516362
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
SMILESc1cc2c(cc1OCCNC1CCCCCC1)CCC2
InChIInChI=1S/C18H27NO/c1-2-4-9-17(8-3-1)19-12-13-20-18-11-10-15-6-5-7-16(15)14-18/h10-11,14,17,19H,1-9,12-13H2
InChIKeyNATQIDIYEJMRHJ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.87
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

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
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
CID 59274109
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopentanamine
CID 55093016
3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine (CID 63516362) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine is c1cc2c(cc1OCCNC1CCCCCC1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine?
The InChIKey is NATQIDIYEJMRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-4-9-17(8-3-1)19-12-13-20-18-11-10-15-6-5-7-16(15)14-18/h10-11,14,17,19H,1-9,12-13H2.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine has a molecular weight of 273.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine is sourced from PubChem (CID 63516362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).