4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide

C14H30N2O3 — CID 106310740

IUPAC4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCCOCCO
InChIInChI=1S/C14H30N2O3/c1-12(2)13(6-7-15)4-5-14(18)16-8-3-10-19-11-9-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyXIRJCIBLWPWQEO-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.90
Rot. Bonds12

About 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide

4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide (PubChem CID 106310740) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
PubChem CID106310740
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCCOCCO
InChIInChI=1S/C14H30N2O3/c1-12(2)13(6-7-15)4-5-14(18)16-8-3-10-19-11-9-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyXIRJCIBLWPWQEO-UHFFFAOYSA-N
XLogP0.90
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
7-amino-N-[3-(2-hydroxyethoxy)propyl]heptanamide
CID 106310658
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011723
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
4-(2-aminoethyl)-N-(3-hydroxy-2-methylpropyl)-5-methylhexanamide
CID 65035783
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
3-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310633
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106309578

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide (CID 106310740) is 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide is CC(C)C(CCN)CCC(=O)NCCCOCCO.
What is the InChIKey of 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
The InChIKey is XIRJCIBLWPWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(2)13(6-7-15)4-5-14(18)16-8-3-10-19-11-9-17/h12-13,17H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide?
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide has a molecular weight of 274.40 g/mol, XLogP of 0.90, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide is sourced from PubChem (CID 106310740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).