4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine

C20H40N2O3 — CID 67938981

IUPAC4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine
SMILESCCCCCCCCCCCCC(C)(N)C1=CC(O)OC1=O.CNC
InChIInChI=1S/C18H33NO3.C2H7N/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,19)15-14-16(20)22-17(15)21;1-3-2/h14,16,20H,3-13,19H2,1-2H3;3H,1-2H3
InChIKeyUDXKRJZHRKAODM-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.65
Rot. Bonds12

About 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine

4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine (PubChem CID 67938981) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine.

Molecular Properties

Compound Name4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine
PubChem CID67938981
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC Name4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine
SMILESCCCCCCCCCCCCC(C)(N)C1=CC(O)OC1=O.CNC
InChIInChI=1S/C18H33NO3.C2H7N/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,19)15-14-16(20)22-17(15)21;1-3-2/h14,16,20H,3-13,19H2,1-2H3;3H,1-2H3
InChIKeyUDXKRJZHRKAODM-UHFFFAOYSA-N
XLogP3.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyldecan-2-amine
CID 63408050
2-phenylicosan-2-amine;hydrochloride
CID 173065845
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
2,6-bis(7-aminotridecan-7-yl)phenol
CID 20545732
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
2-(2-methylnonan-2-yl)-2H-furan-5-one
CID 129257118
bis(2-methylnonan-2-yl) hydrogen phosphate
CID 22497522
octyl N-(2-methyl-4-oxooxetan-3-yl)carbamate
CID 123509341
5-(2-methylhexadecan-2-yl)-2,3-dihydro-1,3-oxazol-2-ol
CID 155688253
2-pyridin-3-yloctan-2-amine
CID 174517914
2-amino-2-methyltetradecanamide
CID 175155192
2-methyl-2-phenylmethoxycarbonylundecanoic acid
CID 150503047

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine?
The IUPAC name of 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine (CID 67938981) is 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine.
What is the SMILES notation for 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine?
The canonical SMILES for 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine is CCCCCCCCCCCCC(C)(N)C1=CC(O)OC1=O.CNC.
What is the InChIKey of 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine?
The InChIKey is UDXKRJZHRKAODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3.C2H7N/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,19)15-14-16(20)22-17(15)21;1-3-2/h14,16,20H,3-13,19H2,1-2H3;3H,1-2H3.
What are the key properties of 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine?
4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine has a molecular weight of 356.55 g/mol, XLogP of 3.65, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminotetradecan-2-yl)-2-hydroxy-2H-furan-5-one;N-methylmethanamine is sourced from PubChem (CID 67938981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).