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

C18H28N2 — CID 115418345

IUPAC4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(CN1CCCC1)NC1CCC(C)c2ccccc21
InChIInChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)19-15(2)13-20-11-5-6-12-20/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3
InChIKeyPXAYSXVZIZPSTI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.70
Rot. Bonds4

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

4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115418345) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115418345
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(CN1CCCC1)NC1CCC(C)c2ccccc21
InChIInChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)19-15(2)13-20-11-5-6-12-20/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3
InChIKeyPXAYSXVZIZPSTI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
4-methyl-N-pent-4-yn-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115725315
N-(1-pyrrolidin-1-ylpropan-2-yl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 61474832
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43675785
N-(1-morpholin-4-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43675875
3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749170
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418524
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115418345) is 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(CN1CCCC1)NC1CCC(C)c2ccccc21.
What is the InChIKey of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PXAYSXVZIZPSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-9-10-18(17-8-4-3-7-16(14)17)19-15(2)13-20-11-5-6-12-20/h3-4,7-8,14-15,18-19H,5-6,9-13H2,1-2H3.
What are the key properties of 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115418345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).