1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine

C11H21NS — CID 143706641

IUPAC1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine
SMILESCS(C)(C)CNCC1=CCCC=C1
InChIInChI=1S/C11H21NS/c1-13(2,3)10-12-9-11-7-5-4-6-8-11/h5,7-8,12H,4,6,9-10H2,1-3H3
InChIKeyCYZHACWLFUTHJO-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.50
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine

1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine (PubChem CID 143706641) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine
PubChem CID143706641
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine
SMILESCS(C)(C)CNCC1=CCCC=C1
InChIInChI=1S/C11H21NS/c1-13(2,3)10-12-9-11-7-5-4-6-8-11/h5,7-8,12H,4,6,9-10H2,1-3H3
InChIKeyCYZHACWLFUTHJO-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine with MolForge

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Related Compounds

(1S)-1-ethylsulfanyl-N-[[(4R)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]ethanamine
CID 163458330
1-cyclohexa-1,5-dien-1-yl-N-methylmethanamine
CID 67594284
(E)-N-methyl-2-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
CID 88223688
5-[(Z)-2-methylsulfanylethenyl]-1,2,3,6-tetrahydropyridine
CID 89293783
N-methyl-2-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]but-2-en-1-amine
CID 91026515
N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine
CID 123439347
N,2,5-trimethyl-6-methylidenedodeca-2,4,7,10-tetraen-1-amine
CID 123578550
N-methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)methanamine
CID 132214871
(2E,4Z)-N,4-dimethyl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
CID 134268678
N-(cyclohexa-1,5-dien-1-ylmethyl)propan-1-amine
CID 134488051
(2Z)-N-methyl-2-[(6Z)-6-propylidenecyclohexa-2,4-dien-1-ylidene]ethanamine
CID 138478230
(2E)-N-methyl-2-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-3-en-1-amine
CID 141978324

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine (CID 143706641) is 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine is CS(C)(C)CNCC1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine?
The InChIKey is CYZHACWLFUTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-13(2,3)10-12-9-11-7-5-4-6-8-11/h5,7-8,12H,4,6,9-10H2,1-3H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine?
1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine has a molecular weight of 199.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-λ4-sulfanyl)methyl]methanamine is sourced from PubChem (CID 143706641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).