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

C18H28N2 — CID 115418929

IUPACN-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1N1CCC(C)C1
InChIInChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)14(3)11-17(18)20-10-9-13(2)12-20/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyJUPRZWGQUMFTDK-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.55
Rot. Bonds3

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

N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418929) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418929
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1N1CCC(C)C1
InChIInChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)14(3)11-17(18)20-10-9-13(2)12-20/h5-8,13-14,17-19H,4,9-12H2,1-3H3
InChIKeyJUPRZWGQUMFTDK-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419104
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
2-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62331020
4-methyl-2-(2-methylpyrrolidin-1-yl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418920
N-ethyl-4-methyl-2-phenoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419175
2-(azocan-1-yl)-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418831
N-ethyl-4-methyl-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420483
2-cyclopentylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420341
2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420102
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104958357
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420263
2-N-butyl-1-N-ethyl-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418929) is N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2C(C)CC1N1CCC(C)C1.
What is the InChIKey of N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JUPRZWGQUMFTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-19-18-16-8-6-5-7-15(16)14(3)11-17(18)20-10-9-13(2)12-20/h5-8,13-14,17-19H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).