N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine

C15H21NO — CID 29015190

IUPACN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
SMILESc1cc2c(cc1OCCCNC1CC1)CCC2
InChIInChI=1S/C15H21NO/c1-3-12-5-8-15(11-13(12)4-1)17-10-2-9-16-14-6-7-14/h5,8,11,14,16H,1-4,6-7,9-10H2
InChIKeyZBNKJJPEBBLRCX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.70
Rot. Bonds6

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

N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine (PubChem CID 29015190) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
PubChem CID29015190
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
SMILESc1cc2c(cc1OCCCNC1CC1)CCC2
InChIInChI=1S/C15H21NO/c1-3-12-5-8-15(11-13(12)4-1)17-10-2-9-16-14-6-7-14/h5,8,11,14,16H,1-4,6-7,9-10H2
InChIKeyZBNKJJPEBBLRCX-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.70
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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
CID 59274109
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine (CID 29015190) is N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine is c1cc2c(cc1OCCCNC1CC1)CCC2.
What is the InChIKey of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine?
The InChIKey is ZBNKJJPEBBLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12-5-8-15(11-13(12)4-1)17-10-2-9-16-14-6-7-14/h5,8,11,14,16H,1-4,6-7,9-10H2.
What are the key properties of N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine?
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine is sourced from PubChem (CID 29015190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).