N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine

C19H31N — CID 115812394

IUPACN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
SMILESCCCCCC(CC1CCCc2ccccc21)NCC
InChIInChI=1S/C19H31N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h7-8,10,14,17-18,20H,3-6,9,11-13,15H2,1-2H3
InChIKeyVYSZVNCWEFOPGF-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.05
Rot. Bonds8

About N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine

N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine (PubChem CID 115812394) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
PubChem CID115812394
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine
SMILESCCCCCC(CC1CCCc2ccccc21)NCC
InChIInChI=1S/C19H31N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h7-8,10,14,17-18,20H,3-6,9,11-13,15H2,1-2H3
InChIKeyVYSZVNCWEFOPGF-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-ol
CID 63902035
N-ethyl-1-ethylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-amine
CID 65128460
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-amine
CID 55241508
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
N-ethyl-1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 107187975
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
1-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentan-3-amine
CID 113496280
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine?
The IUPAC name of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine (CID 115812394) is N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine.
What is the SMILES notation for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine?
The canonical SMILES for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine is CCCCCC(CC1CCCc2ccccc21)NCC.
What is the InChIKey of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine?
The InChIKey is VYSZVNCWEFOPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-13-18(20-4-2)15-17-12-9-11-16-10-7-8-14-19(16)17/h7-8,10,14,17-18,20H,3-6,9,11-13,15H2,1-2H3.
What are the key properties of N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine?
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-amine is sourced from PubChem (CID 115812394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).