N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine

C11H21NS — CID 62580268

IUPACN-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCNCCSC1CCCCC1
InChIInChI=1S/C11H21NS/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h2,11-12H,1,3-10H2
InChIKeyLFATXQDMXRNZCJ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds6

About N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine

N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine (PubChem CID 62580268) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine
PubChem CID62580268
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine
SMILESC=CCNCCSC1CCCCC1
InChIInChI=1S/C11H21NS/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h2,11-12H,1,3-10H2
InChIKeyLFATXQDMXRNZCJ-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pentylsulfanyl-N-(1-pentylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474478
N-(prop-2-en-1-yl)thian-4-amine
CID 43394829
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
N-prop-2-enyl-2-propylsulfanylpropan-1-amine
CID 62577543
2-butylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62577844
N-(2-butylsulfanylethyl)prop-2-en-1-amine
CID 62578250
N-(2-propylsulfanylethyl)prop-2-en-1-amine
CID 62578828
N-(2-propan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62579109
2-butan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579247
2-cyclohexylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62581888
N-(2-cyclopentylsulfanylethyl)prop-2-en-1-amine
CID 63115683
2-cyclopentylsulfanyl-N-prop-2-enylpropan-1-amine
CID 63115762

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine (CID 62580268) is N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine is C=CCNCCSC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine?
The InChIKey is LFATXQDMXRNZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-8-12-9-10-13-11-6-4-3-5-7-11/h2,11-12H,1,3-10H2.
What are the key properties of N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine?
N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)prop-2-en-1-amine is sourced from PubChem (CID 62580268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).