1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile

C14H26N2O — CID 79572031

IUPAC1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)CCCOCCC1CCCC1(N)C#N
InChIInChI=1S/C14H26N2O/c1-12(2)5-4-9-17-10-7-13-6-3-8-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3
InChIKeyXVHXUQWFGUUXKM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.85
Rot. Bonds7

About 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79572031) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79572031
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)CCCOCCC1CCCC1(N)C#N
InChIInChI=1S/C14H26N2O/c1-12(2)5-4-9-17-10-7-13-6-3-8-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3
InChIKeyXVHXUQWFGUUXKM-UHFFFAOYSA-N
XLogP2.85
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
CID 113427255
1-amino-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 103284836
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
CID 79575827
1-amino-2-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565336
1-amino-2-[2-[1-cyclopropylethyl(methyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566124
1-amino-2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentane-1-carbonitrile
CID 79573395
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891
1-amino-2-[2-(oxan-2-ylmethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572364
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576810
1-(methylamino)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572611
1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565823

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile (CID 79572031) is 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile is CC(C)CCCOCCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is XVHXUQWFGUUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)5-4-9-17-10-7-13-6-3-8-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3.
What are the key properties of 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 238.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79572031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).