N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29N — CID 115418412

IUPACN-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(CC)C(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-12-11-13(3)16-9-7-8-10-17(16)18/h7-10,13-15,18-19H,5-6,11-12H2,1-4H3
InChIKeyIUOJGHIYOSUGKA-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418412) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418412
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(CC)C(C)NC1CCC(C)c2ccccc21
InChIInChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-12-11-13(3)16-9-7-8-10-17(16)18/h7-10,13-15,18-19H,5-6,11-12H2,1-4H3
InChIKeyIUOJGHIYOSUGKA-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
N-(3-ethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63842967
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
N-(3-ethylpentan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 63842626
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724
2-N,2-N-dimethyl-1-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 81344254
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418412) is N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(CC)C(C)NC1CCC(C)c2ccccc21.
What is the InChIKey of N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is IUOJGHIYOSUGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-15(6-2)14(4)19-18-12-11-13(3)16-9-7-8-10-17(16)18/h7-10,13-15,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).