(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C26H38N2 — CID 158216876

IUPAC(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)N[C@@H]1CCCc2ccccc21.CC(C)N[C@H]1CCCc2ccccc21
InChIInChI=1S/2C13H19N/c2*1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13/h2*3-4,6,8,10,13-14H,5,7,9H2,1-2H3/t2*13-/m10/s1
InChIKeyGCTMGZYEQHRZNC-JACLSRQLSA-N
MW378.60 g/mol
LogP6.12
Rot. Bonds4

About (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 158216876) has the molecular formula C26H38N2 and a molecular weight of 378.60 g/mol. Its IUPAC name is (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID158216876
Molecular FormulaC26H38N2
Molecular Weight378.60 g/mol
Exact Mass378.30
IUPAC Name(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)N[C@@H]1CCCc2ccccc21.CC(C)N[C@H]1CCCc2ccccc21
InChIInChI=1S/2C13H19N/c2*1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13/h2*3-4,6,8,10,13-14H,5,7,9H2,1-2H3/t2*13-/m10/s1
InChIKeyGCTMGZYEQHRZNC-JACLSRQLSA-N
XLogP6.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131
N-(3-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43131355
N-(1-cyclopropylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63988882
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43191940
1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propane-1,2-diamine
CID 82946230
2-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propan-1-ol
CID 153344227
N-[1-(oxan-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103768119
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanoic acid
CID 43652089
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723

Frequently Asked Questions

What is the IUPAC name of (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 158216876) is (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)N[C@@H]1CCCc2ccccc21.CC(C)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GCTMGZYEQHRZNC-JACLSRQLSA-N. The full InChI is InChI=1S/2C13H19N/c2*1-10(2)14-13-9-5-7-11-6-3-4-8-12(11)13/h2*3-4,6,8,10,13-14H,5,7,9H2,1-2H3/t2*13-/m10/s1.
What are the key properties of (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 378.60 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 158216876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).