8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile

C14H20N2 — CID 114818336

IUPAC8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile
SMILESC#CCNC1(C#N)CCC2(CCCC2)CC1
InChIInChI=1S/C14H20N2/c1-2-11-16-14(12-15)9-7-13(8-10-14)5-3-4-6-13/h1,16H,3-11H2
InChIKeyNBOHNGOCGRNUQA-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.61
Rot. Bonds2

About 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile

8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile (PubChem CID 114818336) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile
PubChem CID114818336
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile
SMILESC#CCNC1(C#N)CCC2(CCCC2)CC1
InChIInChI=1S/C14H20N2/c1-2-11-16-14(12-15)9-7-13(8-10-14)5-3-4-6-13/h1,16H,3-11H2
InChIKeyNBOHNGOCGRNUQA-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile (CID 114818336) is 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile is C#CCNC1(C#N)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile?
The InChIKey is NBOHNGOCGRNUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-11-16-14(12-15)9-7-13(8-10-14)5-3-4-6-13/h1,16H,3-11H2.
What are the key properties of 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile?
8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile has a molecular weight of 216.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(prop-2-ynylamino)spiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 114818336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).