[(1S)-1-cyclohexylethyl]cyanamide

C9H16N2 — CID 81385212

IUPAC[(1S)-1-cyclohexylethyl]cyanamide
SMILESC[C@H](NC#N)C1CCCCC1
InChIInChI=1S/C9H16N2/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyKJDOMQCGLOBHOF-QMMMGPOBSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds2

About [(1S)-1-cyclohexylethyl]cyanamide

[(1S)-1-cyclohexylethyl]cyanamide (PubChem CID 81385212) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1S)-1-cyclohexylethyl]cyanamide.

Molecular Properties

Compound Name[(1S)-1-cyclohexylethyl]cyanamide
PubChem CID81385212
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name[(1S)-1-cyclohexylethyl]cyanamide
SMILESC[C@H](NC#N)C1CCCCC1
InChIInChI=1S/C9H16N2/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9,11H,2-6H2,1H3/t8-/m0/s1
InChIKeyKJDOMQCGLOBHOF-QMMMGPOBSA-N
XLogP2.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylethyl]cyanamide?
The IUPAC name of [(1S)-1-cyclohexylethyl]cyanamide (CID 81385212) is [(1S)-1-cyclohexylethyl]cyanamide.
What is the SMILES notation for [(1S)-1-cyclohexylethyl]cyanamide?
The canonical SMILES for [(1S)-1-cyclohexylethyl]cyanamide is C[C@H](NC#N)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexylethyl]cyanamide?
The InChIKey is KJDOMQCGLOBHOF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9,11H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of [(1S)-1-cyclohexylethyl]cyanamide?
[(1S)-1-cyclohexylethyl]cyanamide has a molecular weight of 152.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexylethyl]cyanamide is sourced from PubChem (CID 81385212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).