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

C16H25N — CID 10243006

IUPAC(2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyIMMAROBNUIRASX-INIZCTEOSA-N
MW231.38 g/mol
LogP3.67
Rot. Bonds5

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

(2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10243006) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10243006
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2ccccc2C1
InChIInChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1
InChIKeyIMMAROBNUIRASX-INIZCTEOSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10243006) is (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IMMAROBNUIRASX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N/c1-3-11-17(12-4-2)16-10-9-14-7-5-6-8-15(14)13-16/h5-8,16H,3-4,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10243006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).