2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide

C14H28N2O2 — CID 55116696

IUPAC2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)CCOCCNC(=O)C1CCCCC1N
InChIInChI=1S/C14H28N2O2/c1-11(2)7-9-18-10-8-16-14(17)12-5-3-4-6-13(12)15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyYKHTUHUJQKDOEI-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds7

About 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide

2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 55116696) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID55116696
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide
SMILESCC(C)CCOCCNC(=O)C1CCCCC1N
InChIInChI=1S/C14H28N2O2/c1-11(2)7-9-18-10-8-16-14(17)12-5-3-4-6-13(12)15/h11-13H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyYKHTUHUJQKDOEI-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide (CID 55116696) is 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide is CC(C)CCOCCNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is YKHTUHUJQKDOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)7-9-18-10-8-16-14(17)12-5-3-4-6-13(12)15/h11-13H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide?
2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55116696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).