N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene

C18H27NS — CID 145230265

IUPACN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene
SMILESC=CCCC.CSC1=CCCC=C1NC1=CCCC=C1
InChIInChI=1S/C13H17NS.C5H10/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11;1-3-5-4-2/h3,7-10,14H,2,4-6H2,1H3;3H,1,4-5H2,2H3
InChIKeyUFJWMNXSKBQDJD-UHFFFAOYSA-N
MW289.49 g/mol
LogP5.71
Rot. Bonds5

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

N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene (PubChem CID 145230265) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene
PubChem CID145230265
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC NameN-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene
SMILESC=CCCC.CSC1=CCCC=C1NC1=CCCC=C1
InChIInChI=1S/C13H17NS.C5H10/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11;1-3-5-4-2/h3,7-10,14H,2,4-6H2,1H3;3H,1,4-5H2,2H3
InChIKeyUFJWMNXSKBQDJD-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-ethylcyclohexa-1,3-diene;(E,1E)-1-(3-methylidene-5-prop-1-en-2-ylthiophen-2-ylidene)-N-prop-1-en-2-ylbut-2-en-2-amine
CID 143033349
ethane;2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]-1H-pyridine-4-thione;prop-1-ene
CID 143082438
Ethane;2-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 143902098
(2E,4E)-5,6-dimethyl-N-[(E)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylprop-1-en-2-yl]hepta-2,4,6-trien-3-amine;prop-1-ene
CID 143996586
6-methylsulfanyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 144625342
2-(Cyclohexa-1,5-dien-1-ylamino)propane-2-thiol
CID 141999581
N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine
CID 145230266

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene (CID 145230265) is N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene is C=CCCC.CSC1=CCCC=C1NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene?
The InChIKey is UFJWMNXSKBQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS.C5H10/c1-15-13-10-6-5-9-12(13)14-11-7-3-2-4-8-11;1-3-5-4-2/h3,7-10,14H,2,4-6H2,1H3;3H,1,4-5H2,2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene?
N-cyclohexa-1,5-dien-1-yl-6-methylsulfanylcyclohexa-1,5-dien-1-amine;pent-1-ene has a molecular weight of 289.49 g/mol, XLogP of 5.71, 5 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;pent-1-ene is sourced from PubChem (CID 145230265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).