2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

C19H31N — CID 63502995

IUPAC2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCC2)C(C)(C)CC
InChIInChI=1S/C19H31N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h11-12,14,18,20H,5-10,13H2,1-4H3
InChIKeyXVPWCSVZFZZNCC-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.04
Rot. Bonds6

About 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine

2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (PubChem CID 63502995) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
PubChem CID63502995
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCCC2)C(C)(C)CC
InChIInChI=1S/C19H31N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h11-12,14,18,20H,5-10,13H2,1-4H3
InChIKeyXVPWCSVZFZZNCC-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496762
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
2,2,3,3-tetrafluoro-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 79644292
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 43494268
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(3-bromo-4-methoxyphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503843
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
2,2-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115855059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine (CID 63502995) is 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is CCCNC(c1ccc2c(c1)CCCC2)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
The InChIKey is XVPWCSVZFZZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-13-20-18(19(3,4)6-2)17-12-11-15-9-7-8-10-16(15)14-17/h11-12,14,18,20H,5-10,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine?
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine is sourced from PubChem (CID 63502995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).