N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine

C17H21N3O — CID 102559194

IUPACN-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
SMILESc1ccc2c(c1)CCCC2OCCCNc1cnccn1
InChIInChI=1S/C17H21N3O/c1-2-7-15-14(5-1)6-3-8-16(15)21-12-4-9-19-17-13-18-10-11-20-17/h1-2,5,7,10-11,13,16H,3-4,6,8-9,12H2,(H,19,20)
InChIKeyHANIITAFXUTYFW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.37
Rot. Bonds6

About N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine

N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine (PubChem CID 102559194) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
PubChem CID102559194
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine
SMILESc1ccc2c(c1)CCCC2OCCCNc1cnccn1
InChIInChI=1S/C17H21N3O/c1-2-7-15-14(5-1)6-3-8-16(15)21-12-4-9-19-17-13-18-10-11-20-17/h1-2,5,7,10-11,13,16H,3-4,6,8-9,12H2,(H,19,20)
InChIKeyHANIITAFXUTYFW-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-pyridin-2-ylethyl)-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111579473
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
5-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]pyridine-2-carboxylic acid
CID 119129883
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)pyridin-2-amine
CID 62465313
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
2-methyl-1-propan-2-yl-3-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]guanidine
CID 111792021

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine?
The IUPAC name of N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine (CID 102559194) is N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine.
What is the SMILES notation for N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine?
The canonical SMILES for N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine is c1ccc2c(c1)CCCC2OCCCNc1cnccn1.
What is the InChIKey of N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine?
The InChIKey is HANIITAFXUTYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-7-15-14(5-1)6-3-8-16(15)21-12-4-9-19-17-13-18-10-11-20-17/h1-2,5,7,10-11,13,16H,3-4,6,8-9,12H2,(H,19,20).
What are the key properties of N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine?
N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]pyrazin-2-amine is sourced from PubChem (CID 102559194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).