N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine

C16H23NO — CID 61398719

IUPACN-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
SMILESc1cc2c(cc1OCCCNC1CC1)CCCC2
InChIInChI=1S/C16H23NO/c1-2-5-14-12-16(9-6-13(14)4-1)18-11-3-10-17-15-7-8-15/h6,9,12,15,17H,1-5,7-8,10-11H2
InChIKeyHJQPBAQCMZNXGV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds6

About N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine

N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine (PubChem CID 61398719) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
PubChem CID61398719
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
SMILESc1cc2c(cc1OCCCNC1CC1)CCCC2
InChIInChI=1S/C16H23NO/c1-2-5-14-12-16(9-6-13(14)4-1)18-11-3-10-17-15-7-8-15/h6,9,12,15,17H,1-5,7-8,10-11H2
InChIKeyHJQPBAQCMZNXGV-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.09
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-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]cycloheptanamine
CID 63516362
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)oxy]ethyl]cyclopentanamine
CID 59274109
N-[3-(6-bromonaphthalen-2-yl)oxypropyl]cyclopentanamine
CID 63505429
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
N-[3-(3-bromo-4-fluorophenoxy)propyl]cyclopentanamine
CID 83234514
N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine (CID 61398719) is N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine is c1cc2c(cc1OCCCNC1CC1)CCCC2.
What is the InChIKey of N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine?
The InChIKey is HJQPBAQCMZNXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-5-14-12-16(9-6-13(14)4-1)18-11-3-10-17-15-7-8-15/h6,9,12,15,17H,1-5,7-8,10-11H2.
What are the key properties of N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine?
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine has a molecular weight of 245.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine is sourced from PubChem (CID 61398719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).