(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23N — CID 66258441

IUPAC(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C15H23N/c1-4-15(2,3)12-9-8-11-6-5-7-14(16)13(11)10-12/h8-10,14H,4-7,16H2,1-3H3/t14-/m0/s1
InChIKeyYPAINHKMRWURML-AWEZNQCLSA-N
MW217.36 g/mol
LogP3.71
Rot. Bonds2

About (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 66258441) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID66258441
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](N)CCC2
InChIInChI=1S/C15H23N/c1-4-15(2,3)12-9-8-11-6-5-7-14(16)13(11)10-12/h8-10,14H,4-7,16H2,1-3H3/t14-/m0/s1
InChIKeyYPAINHKMRWURML-AWEZNQCLSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 66258441) is (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)(C)c1ccc2c(c1)[C@@H](N)CCC2.
What is the InChIKey of (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YPAINHKMRWURML-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(2,3)12-9-8-11-6-5-7-14(16)13(11)10-12/h8-10,14H,4-7,16H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66258441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).