N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO — CID 65455939

IUPACN-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C17H27NO/c1-3-5-6-13-19-17-12-8-9-14-15(17)10-7-11-16(14)18-4-2/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3
InChIKeyARDVRMWJZVQVEV-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.24
Rot. Bonds7

About N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65455939) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65455939
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCOc1cccc2c1CCCC2NCC
InChIInChI=1S/C17H27NO/c1-3-5-6-13-19-17-12-8-9-14-15(17)10-7-11-16(14)18-4-2/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3
InChIKeyARDVRMWJZVQVEV-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.24
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-ethyl-5-hept-6-enoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107006227
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
N-ethyl-5-[(1-methyltriazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107041494
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65455939) is N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCOc1cccc2c1CCCC2NCC.
What is the InChIKey of N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ARDVRMWJZVQVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-6-13-19-17-12-8-9-14-15(17)10-7-11-16(14)18-4-2/h8-9,12,16,18H,3-7,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65455939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).