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

C18H27NO — CID 83044892

IUPACN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO/c1-2-5-18(13-19-16-9-10-16)20-17-11-8-14-6-3-4-7-15(14)12-17/h8,11-12,16,18-19H,2-7,9-10,13H2,1H3
InChIKeyHZSVLCDLSBSVFJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.86
Rot. Bonds7

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

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine (PubChem CID 83044892) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
PubChem CID83044892
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C18H27NO/c1-2-5-18(13-19-16-9-10-16)20-17-11-8-14-6-3-4-7-15(14)12-17/h8,11-12,16,18-19H,2-7,9-10,13H2,1H3
InChIKeyHZSVLCDLSBSVFJ-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-1-amine
CID 83048915
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
N-[2-[(6-methyl-3-pyridinyl)oxy]pentyl]cyclopropanamine
CID 83044254
N-[2-(2,3,5-trimethylphenoxy)pentyl]cyclopropanamine
CID 83044881
N-[2-(1-methylpyrazol-4-yl)oxypentyl]cyclopropanamine
CID 116793651
N-(2-quinolin-3-yloxypentyl)cyclopropanamine
CID 107387783
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
N-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]cyclopropanamine
CID 61398719
3-methyl-N-propyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496310

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine (CID 83044892) is N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine is CCCC(CNC1CC1)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine?
The InChIKey is HZSVLCDLSBSVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-5-18(13-19-16-9-10-16)20-17-11-8-14-6-3-4-7-15(14)12-17/h8,11-12,16,18-19H,2-7,9-10,13H2,1H3.
What are the key properties of N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine?
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentyl]cyclopropanamine is sourced from PubChem (CID 83044892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).