N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide

C18H36N4O4 — CID 59422079

IUPACN,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
SMILESNCCNC(=O)C(CCCCCCOC1CCCCO1)C(=O)NCCN
InChIInChI=1S/C18H36N4O4/c19-9-11-21-17(23)15(18(24)22-12-10-20)7-3-1-2-5-13-25-16-8-4-6-14-26-16/h15-16H,1-14,19-20H2,(H,21,23)(H,22,24)
InChIKeyCLOYJKNPKGLZSK-UHFFFAOYSA-N
MW372.51 g/mol
LogP0.25
Rot. Bonds14

About N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide

N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide (PubChem CID 59422079) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
PubChem CID59422079
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC NameN,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide
SMILESNCCNC(=O)C(CCCCCCOC1CCCCO1)C(=O)NCCN
InChIInChI=1S/C18H36N4O4/c19-9-11-21-17(23)15(18(24)22-12-10-20)7-3-1-2-5-13-25-16-8-4-6-14-26-16/h15-16H,1-14,19-20H2,(H,21,23)(H,22,24)
InChIKeyCLOYJKNPKGLZSK-UHFFFAOYSA-N
XLogP0.25
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-formyl-8-(oxan-2-yloxy)octanamide;ethane;N'-methylethane-1,2-diamine
CID 143167639
2-[4-(oxan-2-yloxy)butyl]propanediamide
CID 67822555
2-(6-methylheptoxy)oxane
CID 139685112
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509
6-[4-(oxan-2-yloxy)butylamino]hexyl 2-hexyldecanoate
CID 171652278
2-[4-(oxan-2-yloxy)butyl]decanoic acid
CID 177221724
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
(3S)-8-(oxan-2-yloxy)octane-1,3-diol
CID 11831727
6-amino-2-[3-(oxan-2-yloxy)propyl]hexan-1-ol
CID 14986683
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide?
The IUPAC name of N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide (CID 59422079) is N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide.
What is the SMILES notation for N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide?
The canonical SMILES for N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide is NCCNC(=O)C(CCCCCCOC1CCCCO1)C(=O)NCCN.
What is the InChIKey of N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide?
The InChIKey is CLOYJKNPKGLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O4/c19-9-11-21-17(23)15(18(24)22-12-10-20)7-3-1-2-5-13-25-16-8-4-6-14-26-16/h15-16H,1-14,19-20H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide?
N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide has a molecular weight of 372.51 g/mol, XLogP of 0.25, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-aminoethyl)-2-[6-(oxan-2-yloxy)hexyl]propanediamide is sourced from PubChem (CID 59422079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).