4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide

C15H32N2O2 — CID 82941854

IUPAC4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
SMILESCCCOCCCNC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C15H32N2O2/c1-4-11-19-12-5-10-17-15(18)7-6-14(8-9-16)13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyJNGKTXLGTHZXAM-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.32
Rot. Bonds12

About 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide

4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide (PubChem CID 82941854) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
PubChem CID82941854
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
SMILESCCCOCCCNC(=O)CCC(CCN)C(C)C
InChIInChI=1S/C15H32N2O2/c1-4-11-19-12-5-10-17-15(18)7-6-14(8-9-16)13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyJNGKTXLGTHZXAM-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.32
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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Related Compounds

4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
4-(2-aminoethyl)-N-(3-propoxypropyl)heptanamide
CID 82941851
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
N'-(3-propoxypropyl)butanediamide
CID 153375512
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011723
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
4-amino-N-[3-(2-methoxyethoxy)propyl]butanamide;hydrochloride
CID 119273607
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide (CID 82941854) is 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide is CCCOCCCNC(=O)CCC(CCN)C(C)C.
What is the InChIKey of 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide?
The InChIKey is JNGKTXLGTHZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-4-11-19-12-5-10-17-15(18)7-6-14(8-9-16)13(2)3/h13-14H,4-12,16H2,1-3H3,(H,17,18).
What are the key properties of 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide?
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide has a molecular weight of 272.43 g/mol, XLogP of 2.32, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide is sourced from PubChem (CID 82941854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).