(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C26H31N — CID 46233450

IUPAC(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1
InChIInChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1
InChIKeyZDLOUKWUMDONOK-QFIPXVFZSA-N
MW357.54 g/mol
LogP6.49
Rot. Bonds6

About (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 46233450) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID46233450
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1
InChIInChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1
InChIKeyZDLOUKWUMDONOK-QFIPXVFZSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 46233450) is (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)[C@H]1CCc2c(cccc2-c2cccc3ccccc23)C1.
What is the InChIKey of (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZDLOUKWUMDONOK-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H31N/c1-3-17-27(18-4-2)22-15-16-24-21(19-22)11-8-14-26(24)25-13-7-10-20-9-5-6-12-23(20)25/h5-14,22H,3-4,15-19H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 357.54 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-naphthalen-1-yl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 46233450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).