1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile

C18H26N2O — CID 79577351

IUPAC1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)(C)c1ccccc1OCCC1CCCC1(N)C#N
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14H,6-7,10-12,20H2,1-3H3
InChIKeyRERURGGKEFMWND-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds4

About 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile (PubChem CID 79577351) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
PubChem CID79577351
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile
SMILESCC(C)(C)c1ccccc1OCCC1CCCC1(N)C#N
InChIInChI=1S/C18H26N2O/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14H,6-7,10-12,20H2,1-3H3
InChIKeyRERURGGKEFMWND-UHFFFAOYSA-N
XLogP3.77
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
CID 79576663
1-(aminomethyl)-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79587114
1-amino-2-(2-quinolin-8-yloxyethyl)cyclopentane-1-carbonitrile
CID 79576657
1-amino-2-[2-(2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576014
1-amino-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576804
1-amino-2-[2-(2,4,6-trimethylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576810
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891
1-amino-2-[2-(5-methyl-2-nitrophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576682
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
CID 79575827
1-amino-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]cyclopentane-1-carbonitrile
CID 79573697
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-(2-fluorophenyl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79578023

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile (CID 79577351) is 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile is CC(C)(C)c1ccccc1OCCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is RERURGGKEFMWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)15-8-4-5-9-16(15)21-12-10-14-7-6-11-18(14,20)13-19/h4-5,8-9,14H,6-7,10-12,20H2,1-3H3.
What are the key properties of 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2-tert-butylphenoxy)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).