N-(ethenylsulfanylmethyl)cyclohexanamine

C9H17NS — CID 91459658

IUPACN-(ethenylsulfanylmethyl)cyclohexanamine
SMILESC=CSCNC1CCCCC1
InChIInChI=1S/C9H17NS/c1-2-11-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
InChIKeyQSFRZHLNFKSTAS-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.74
Rot. Bonds4

About N-(ethenylsulfanylmethyl)cyclohexanamine

N-(ethenylsulfanylmethyl)cyclohexanamine (PubChem CID 91459658) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is N-(ethenylsulfanylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(ethenylsulfanylmethyl)cyclohexanamine
PubChem CID91459658
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC NameN-(ethenylsulfanylmethyl)cyclohexanamine
SMILESC=CSCNC1CCCCC1
InChIInChI=1S/C9H17NS/c1-2-11-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
InChIKeyQSFRZHLNFKSTAS-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;N-prop-2-enylcyclohexanamine
CID 22328045
methanamine;N-prop-2-enylcyclohexanamine
CID 22649764
N-[(1-cyclopropylcyclopropyl)methyl]cycloheptanamine
CID 115757794
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclodecanamine
CID 148546213
N-(iodomethyl)cyclohexanamine
CID 89271682
2-(cyclooctylamino)acetaldehyde
CID 54127694
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
N-(3-prop-2-enoxypropyl)cyclohexanamine
CID 62570820
N'-cyclohexyl-2-ethenylpropane-1,3-diamine
CID 144798996
1-(cyclopentylamino)but-3-en-2-one
CID 116559036
N-prop-2-ynylcyclohexanamine;hydrobromide
CID 3051295

Frequently Asked Questions

What is the IUPAC name of N-(ethenylsulfanylmethyl)cyclohexanamine?
The IUPAC name of N-(ethenylsulfanylmethyl)cyclohexanamine (CID 91459658) is N-(ethenylsulfanylmethyl)cyclohexanamine.
What is the SMILES notation for N-(ethenylsulfanylmethyl)cyclohexanamine?
The canonical SMILES for N-(ethenylsulfanylmethyl)cyclohexanamine is C=CSCNC1CCCCC1.
What is the InChIKey of N-(ethenylsulfanylmethyl)cyclohexanamine?
The InChIKey is QSFRZHLNFKSTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-2-11-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2.
What are the key properties of N-(ethenylsulfanylmethyl)cyclohexanamine?
N-(ethenylsulfanylmethyl)cyclohexanamine has a molecular weight of 171.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenylsulfanylmethyl)cyclohexanamine is sourced from PubChem (CID 91459658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).