1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide

C14H28N2O2 — CID 79648277

IUPAC1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide
SMILESCCCCC(CC)COC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-3-5-6-11(4-2)10-18-12-7-8-14(16,9-12)13(15)17/h11-12H,3-10,16H2,1-2H3,(H2,15,17)
InChIKeyRHJBCJNPVJUFOH-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.95
Rot. Bonds8

About 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide

1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide (PubChem CID 79648277) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide
PubChem CID79648277
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide
SMILESCCCCC(CC)COC1CCC(N)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-3-5-6-11(4-2)10-18-12-7-8-14(16,9-12)13(15)17/h11-12H,3-10,16H2,1-2H3,(H2,15,17)
InChIKeyRHJBCJNPVJUFOH-UHFFFAOYSA-N
XLogP1.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide (CID 79648277) is 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide is CCCCC(CC)COC1CCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide?
The InChIKey is RHJBCJNPVJUFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-6-11(4-2)10-18-12-7-8-14(16,9-12)13(15)17/h11-12H,3-10,16H2,1-2H3,(H2,15,17).
What are the key properties of 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide?
1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-ethylhexoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79648277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).