N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine

C11H19NS — CID 143130123

IUPACN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
SMILESCSCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3
InChIKeyJZTQQCNQLJLRBK-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.91
Rot. Bonds4

About N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine

N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 143130123) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
PubChem CID143130123
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine
SMILESCSCCN(C)C1=CC=C(C)CC1
InChIInChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3
InChIKeyJZTQQCNQLJLRBK-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Fluoro-4-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]butane-2-thiol
CID 142354551
2,3-Dibutylthiazine
CID 67229381
N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine
CID 71222166
4,6-Dimethyl-1,3-dipropylpyridine-2-thione
CID 87663549
4-(5-methylsulfanylcyclohexa-1,5-dien-1-yl)-1-propyl-3,6-dihydro-2H-pyridine
CID 118603299
N-ethyl-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 123162035
4-[(2E,4Z)-6-methylsulfanylhexa-2,4-dien-2-yl]-1-propyl-3,6-dihydro-2H-pyridine
CID 126494315
(3Z)-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-[(4Z)-7-methylocta-1,4,6-trien-2-yl]-3-(4-methylpent-4-en-2-ylidene)thiomorpholine
CID 126691456
N-methyl-N-[1-[2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexa-1,3-dien-1-yl]ethenyl]butan-1-amine
CID 130346545
N-methyl-N-[(E)-3-methyl-4-methylidene-6-methylsulfanylhex-2-en-2-yl]cyclohexanamine
CID 138502103
1-tert-butyl-3-(2-methylsulfanylpropyl)-2H-pyridine
CID 139428056
Ethane;2-fluoro-4-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]butane-2-thiol
CID 142354550

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine (CID 143130123) is N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine is CSCCN(C)C1=CC=C(C)CC1.
What is the InChIKey of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is JZTQQCNQLJLRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-10-4-6-11(7-5-10)12(2)8-9-13-3/h4,6H,5,7-9H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine?
N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 197.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylsulfanylethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143130123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).