2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide

C14H26N2O2 — CID 54815337

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17)
InChIKeyMFBJJZPNQKHXAD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.62
Rot. Bonds9

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 54815337) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide
PubChem CID54815337
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCCC1=CCCCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17)
InChIKeyMFBJJZPNQKHXAD-UHFFFAOYSA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide (CID 54815337) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCCC1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is MFBJJZPNQKHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-11-5-9-16-14(17)12-15-10-8-13-6-3-2-4-7-13/h6,15H,2-5,7-12H2,1H3,(H,16,17).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 54815337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).