2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

C14H26N2O2 — CID 64684383

IUPAC2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCCC1)C1CCCO1
InChIInChI=1S/C14H26N2O2/c1-11(12-6-5-9-18-12)16-13(17)10-14(15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyBJDNUSZDZNKWHI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.72
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 64684383) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID64684383
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCCC1)C1CCCO1
InChIInChI=1S/C14H26N2O2/c1-11(12-6-5-9-18-12)16-13(17)10-14(15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17)
InChIKeyBJDNUSZDZNKWHI-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 64684383) is 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)CC1(N)CCCCC1)C1CCCO1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is BJDNUSZDZNKWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(12-6-5-9-18-12)16-13(17)10-14(15)7-3-2-4-8-14/h11-12H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 64684383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).