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

C20H33N — CID 65405568

IUPAC3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-4-8-16(3)14-20(21-13-5-2)19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-10,16,19-21H,4-5,8,11-15H2,1-3H3
InChIKeyODGHYUJQXBZQJC-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.99
Rot. Bonds8

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

3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine (PubChem CID 65405568) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
PubChem CID65405568
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCCCNC(CC(C)CCC)C1CCc2ccccc2C1
InChIInChI=1S/C20H33N/c1-4-8-16(3)14-20(21-13-5-2)19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-10,16,19-21H,4-5,8,11-15H2,1-3H3
InChIKeyODGHYUJQXBZQJC-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
CID 104806170
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
1-(2,3-dihydro-1H-inden-2-yl)-5-methyl-N-propylhexan-1-amine
CID 83161369
N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 83161896
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668
1-(2,3-dihydro-1H-inden-2-yl)-N-propylheptan-1-amine
CID 65412304
N-[oxan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 107136482
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pent-4-yn-1-amine
CID 65404592
3-methyl-N-propyl-1-(4-propylcyclohexyl)hexan-1-amine
CID 65423977
1-(2,3-dihydro-1H-inden-1-yl)-3-methyl-N-propylbutan-1-amine
CID 65403398
2-cyclobutyl-N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65458172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine (CID 65405568) is 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine is CCCNC(CC(C)CCC)C1CCc2ccccc2C1.
What is the InChIKey of 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine?
The InChIKey is ODGHYUJQXBZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-4-8-16(3)14-20(21-13-5-2)19-12-11-17-9-6-7-10-18(17)15-19/h6-7,9-10,16,19-21H,4-5,8,11-15H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine?
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine is sourced from PubChem (CID 65405568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).