(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H27N — CID 10377232

IUPAC(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2cccc(C)c2C1
InChIInChI=1S/C17H27N/c1-4-11-18(12-5-2)16-10-9-15-8-6-7-14(3)17(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
InChIKeyLHGMAZXBORAQSD-INIZCTEOSA-N
MW245.41 g/mol
LogP3.97
Rot. Bonds5

About (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10377232) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10377232
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2cccc(C)c2C1
InChIInChI=1S/C17H27N/c1-4-11-18(12-5-2)16-10-9-15-8-6-7-14(3)17(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1
InChIKeyLHGMAZXBORAQSD-INIZCTEOSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10377232) is (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@H]1CCc2cccc(C)c2C1.
What is the InChIKey of (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LHGMAZXBORAQSD-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N/c1-4-11-18(12-5-2)16-10-9-15-8-6-7-14(3)17(15)13-16/h6-8,16H,4-5,9-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 245.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).