4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide

C16H32N2O2 — CID 82738770

IUPAC4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide
SMILESCC1OCCC1N(C)C(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12-14(9-11-20-12)18(5)15(19)7-6-13(8-10-17)16(2,3)4/h12-14H,6-11,17H2,1-5H3
InChIKeyKCGHGGZXAFNRKT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.41
Rot. Bonds6

About 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide

4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide (PubChem CID 82738770) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide
PubChem CID82738770
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide
SMILESCC1OCCC1N(C)C(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12-14(9-11-20-12)18(5)15(19)7-6-13(8-10-17)16(2,3)4/h12-14H,6-11,17H2,1-5H3
InChIKeyKCGHGGZXAFNRKT-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide (CID 82738770) is 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide is CC1OCCC1N(C)C(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide?
The InChIKey is KCGHGGZXAFNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12-14(9-11-20-12)18(5)15(19)7-6-13(8-10-17)16(2,3)4/h12-14H,6-11,17H2,1-5H3.
What are the key properties of 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide?
4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide has a molecular weight of 284.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,5,5-trimethyl-N-(2-methyloxolan-3-yl)hexanamide is sourced from PubChem (CID 82738770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).