(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine

C13H23N — CID 166750870

IUPAC(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine
SMILESCCC(C)(CC)[C@@]1(C)CC=CC=C1N
InChIInChI=1S/C13H23N/c1-5-12(3,6-2)13(4)10-8-7-9-11(13)14/h7-9H,5-6,10,14H2,1-4H3/t13-/m0/s1
InChIKeyLCLWTVCLFNTEOI-ZDUSSCGKSA-N
MW193.33 g/mol
LogP3.62
Rot. Bonds3

About (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine

(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 166750870) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine
PubChem CID166750870
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine
SMILESCCC(C)(CC)[C@@]1(C)CC=CC=C1N
InChIInChI=1S/C13H23N/c1-5-12(3,6-2)13(4)10-8-7-9-11(13)14/h7-9H,5-6,10,14H2,1-4H3/t13-/m0/s1
InChIKeyLCLWTVCLFNTEOI-ZDUSSCGKSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-Fluoropropyl)-4-methylcyclohexa-1,5-dien-1-amine
CID 166882934
2,3-Dimethylxylidin
CID 129889530
4-(4-Amino-1-methylcyclohexa-2,4-dien-1-yl)-4-methylcyclohexa-1,5-dien-1-amine
CID 21938721
3,3,5,5-Tetramethylcyclohexen-1-amine
CID 22630157
5,6-Diethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 66958213
5-Ethyl-5-methylcyclohexa-1,3-dien-1-amine
CID 67747474
4-(4-Amino-1-ethylcyclohexa-2,4-dien-1-yl)-4-ethylcyclohexa-1,5-dien-1-amine
CID 67748879
6-Methyl-5,5-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 67816168
5,5-Ditert-butyl-6-methylcyclohexa-1,3-dien-1-amine
CID 67816670
6-Ethenyl-5-propylcyclohexen-1-amine
CID 67951566
4-Tert-butyl-5,6-dimethylcyclohexa-1,3-dien-1-amine
CID 68019500
(3-Amino-5,5-dimethylcyclohex-2-en-1-ylidene)methanediamine
CID 68344823

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine (CID 166750870) is (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine is CCC(C)(CC)[C@@]1(C)CC=CC=C1N.
What is the InChIKey of (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is LCLWTVCLFNTEOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N/c1-5-12(3,6-2)13(4)10-8-7-9-11(13)14/h7-9H,5-6,10,14H2,1-4H3/t13-/m0/s1.
What are the key properties of (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine?
(6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6-(3-methylpentan-3-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 166750870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).