5-(2-methylpentoxy)pentanenitrile

C11H21NO — CID 103283756

IUPAC5-(2-methylpentoxy)pentanenitrile
SMILESCCCC(C)COCCCCC#N
InChIInChI=1S/C11H21NO/c1-3-7-11(2)10-13-9-6-4-5-8-12/h11H,3-7,9-10H2,1-2H3
InChIKeyAKCVPKFTBJUZSO-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.13
Rot. Bonds8

About 5-(2-methylpentoxy)pentanenitrile

5-(2-methylpentoxy)pentanenitrile (PubChem CID 103283756) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-(2-methylpentoxy)pentanenitrile.

Molecular Properties

Compound Name5-(2-methylpentoxy)pentanenitrile
PubChem CID103283756
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-(2-methylpentoxy)pentanenitrile
SMILESCCCC(C)COCCCCC#N
InChIInChI=1S/C11H21NO/c1-3-7-11(2)10-13-9-6-4-5-8-12/h11H,3-7,9-10H2,1-2H3
InChIKeyAKCVPKFTBJUZSO-UHFFFAOYSA-N
XLogP3.13
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-4-(2-methylpentoxy)butanenitrile
CID 103284829
2-amino-2-methyl-5-(2-methylpentoxy)pentanenitrile
CID 103284783
2-(ethylamino)-2-methyl-6-(2-methylpentoxy)hexanenitrile
CID 103284800
2-methyl-6-(2-methylpentoxy)-2-(propan-2-ylamino)hexanenitrile
CID 103284790
N-ethyl-5-(2-methylpentoxy)pentan-1-amine
CID 103285584
4-pentoxybutanenitrile
CID 43275140
2-butoxy-N-[2-(2-methylpentoxy)ethyl]ethanamine
CID 103285765
2-(2-methylpentoxy)ethanamine
CID 62343431
21-methylhentriacontanenitrile
CID 527382
6-(2-methylpentoxy)-N-(2-methylpropyl)hexan-1-amine
CID 103285710
5-(2-methylpentoxy)-N-(2-methylpropyl)pentan-1-amine
CID 103285585
6-(2-methylpentoxy)hexane-1-sulfonyl chloride
CID 103285980

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentoxy)pentanenitrile?
The IUPAC name of 5-(2-methylpentoxy)pentanenitrile (CID 103283756) is 5-(2-methylpentoxy)pentanenitrile.
What is the SMILES notation for 5-(2-methylpentoxy)pentanenitrile?
The canonical SMILES for 5-(2-methylpentoxy)pentanenitrile is CCCC(C)COCCCCC#N.
What is the InChIKey of 5-(2-methylpentoxy)pentanenitrile?
The InChIKey is AKCVPKFTBJUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-11(2)10-13-9-6-4-5-8-12/h11H,3-7,9-10H2,1-2H3.
What are the key properties of 5-(2-methylpentoxy)pentanenitrile?
5-(2-methylpentoxy)pentanenitrile has a molecular weight of 183.29 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentoxy)pentanenitrile is sourced from PubChem (CID 103283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).