(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H19N — CID 115417474

IUPAC(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(C)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C13H19N/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11H,6-7,14H2,1-3H3/t9?,11-/m0/s1
InChIKeyYNQDHDPHKZQVTN-UMJHXOGRSA-N
MW189.30 g/mol
LogP3.20
Rot. Bonds

About (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417474) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417474
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccc(C)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C13H19N/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11H,6-7,14H2,1-3H3/t9?,11-/m0/s1
InChIKeyYNQDHDPHKZQVTN-UMJHXOGRSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
4,5,8-trimethyl-3,4-dihydro-2H-thiochromene
CID 141056299
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
N-ethyl-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417478
4,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 155465000
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517
8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859

Frequently Asked Questions

What is the IUPAC name of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417474) is (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccc(C)c2c1C(C)CC[C@@H]2N.
What is the InChIKey of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YNQDHDPHKZQVTN-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H19N/c1-8-4-5-10(3)13-11(14)7-6-9(2)12(8)13/h4-5,9,11H,6-7,14H2,1-3H3/t9?,11-/m0/s1.
What are the key properties of (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 189.30 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).