2-(1-phenylselanylhexan-2-yl)propanedinitrile

C15H18N2Se — CID 134841956

IUPAC2-(1-phenylselanylhexan-2-yl)propanedinitrile
SMILESCCCCC(C[Se]c1ccccc1)C(C#N)C#N
InChIInChI=1S/C15H18N2Se/c1-2-3-7-13(14(10-16)11-17)12-18-15-8-5-4-6-9-15/h4-6,8-9,13-14H,2-3,7,12H2,1H3
InChIKeyYIGJZWVFYUHKMW-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.90
Rot. Bonds7

About 2-(1-phenylselanylhexan-2-yl)propanedinitrile

2-(1-phenylselanylhexan-2-yl)propanedinitrile (PubChem CID 134841956) has the molecular formula C15H18N2Se and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-(1-phenylselanylhexan-2-yl)propanedinitrile.

Molecular Properties

Compound Name2-(1-phenylselanylhexan-2-yl)propanedinitrile
PubChem CID134841956
Molecular FormulaC15H18N2Se
Molecular Weight305.28 g/mol
Exact Mass306.06
IUPAC Name2-(1-phenylselanylhexan-2-yl)propanedinitrile
SMILESCCCCC(C[Se]c1ccccc1)C(C#N)C#N
InChIInChI=1S/C15H18N2Se/c1-2-3-7-13(14(10-16)11-17)12-18-15-8-5-4-6-9-15/h4-6,8-9,13-14H,2-3,7,12H2,1H3
InChIKeyYIGJZWVFYUHKMW-UHFFFAOYSA-N
XLogP2.90
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylselanyloctan-2-yl thiocyanate
CID 10520169
(2S)-1-phenylselanyloctan-2-ol
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N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
2-methylpropylselanylbenzene
CID 12544088
tributyl(phenoxy)phosphanium
CID 23415293
2-(3-phenylheptan-2-ylidene)propanedinitrile
CID 101138980
2-phenoxynonanenitrile
CID 68573362
4-phenylselanyldecanenitrile
CID 11781797
2-(benzhydrylamino)hexanenitrile
CID 135055567
10-phenyltetradecan-5-ylbenzene
CID 22891787
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CID 162717827

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylselanylhexan-2-yl)propanedinitrile?
The IUPAC name of 2-(1-phenylselanylhexan-2-yl)propanedinitrile (CID 134841956) is 2-(1-phenylselanylhexan-2-yl)propanedinitrile.
What is the SMILES notation for 2-(1-phenylselanylhexan-2-yl)propanedinitrile?
The canonical SMILES for 2-(1-phenylselanylhexan-2-yl)propanedinitrile is CCCCC(C[Se]c1ccccc1)C(C#N)C#N.
What is the InChIKey of 2-(1-phenylselanylhexan-2-yl)propanedinitrile?
The InChIKey is YIGJZWVFYUHKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2Se/c1-2-3-7-13(14(10-16)11-17)12-18-15-8-5-4-6-9-15/h4-6,8-9,13-14H,2-3,7,12H2,1H3.
What are the key properties of 2-(1-phenylselanylhexan-2-yl)propanedinitrile?
2-(1-phenylselanylhexan-2-yl)propanedinitrile has a molecular weight of 305.28 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylselanylhexan-2-yl)propanedinitrile is sourced from PubChem (CID 134841956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).