N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine

C13H17NS — CID 145230266

IUPACN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine
SMILESCSC1=CCCC=C1NC1=CCCC=C1
InChIInChI=1S/C13H17NS/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,7-10,14H,2,4-6H2,1H3
InChIKeyXZTLQMVARBTHBQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.73
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine

N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine (PubChem CID 145230266) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine
PubChem CID145230266
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine
SMILESCSC1=CCCC=C1NC1=CCCC=C1
InChIInChI=1S/C13H17NS/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,7-10,14H,2,4-6H2,1H3
InChIKeyXZTLQMVARBTHBQ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]cyclohexa-1,5-dien-1-amine
CID 89173102
3-(Trimethyl-lambda4-sulfanyl)cyclohexa-1,3-dien-1-amine
CID 89191424
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]cyclohexa-1,5-dien-1-amine
CID 89277349
2,3-Bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen
CID 143411144
Ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 143902098
6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 144625342
N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene
CID 145230265
N-[(2E,4Z)-hepta-2,4-dien-3-yl]cyclohexa-1,5-dien-1-amine
CID 155239533
2-methylidene-6-[(1Z,3Z,7Z)-nona-1,3,7-trienyl]-1H-pyridine
CID 170049119
2-(Cyclohexa-1,5-dien-1-ylamino)propane-2-thiol
CID 141999581
2,3-Bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine
CID 143411145

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine (CID 145230266) is N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine is CSC1=CCCC=C1NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine?
The InChIKey is XZTLQMVARBTHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11/h3,7-10,14H,2,4-6H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine?
N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 145230266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).