5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide

C14H26N2O3 — CID 106237589

IUPAC5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
SMILESNC(=O)CCCCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c15-13(17)3-1-2-7-16-12-4-8-19-14(11-12)5-9-18-10-6-14/h12,16H,1-11H2,(H2,15,17)
InChIKeyZNSCLVGYGYHGDU-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.96
Rot. Bonds6

About 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide

5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide (PubChem CID 106237589) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide.

Molecular Properties

Compound Name5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
PubChem CID106237589
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide
SMILESNC(=O)CCCCNC1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H26N2O3/c15-13(17)3-1-2-7-16-12-4-8-19-14(11-12)5-9-18-10-6-14/h12,16H,1-11H2,(H2,15,17)
InChIKeyZNSCLVGYGYHGDU-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)propanoate
CID 79894913
N-(4-methoxybutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894953
N-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
(4R)-N-(4-phenylbutyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 96578536
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
CID 79897971
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
N-[2-(2-methoxyethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79895389
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387
N-(3-morpholin-4-ylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897668

Frequently Asked Questions

What is the IUPAC name of 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide?
The IUPAC name of 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide (CID 106237589) is 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide.
What is the SMILES notation for 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide?
The canonical SMILES for 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide is NC(=O)CCCCNC1CCOC2(CCOCC2)C1.
What is the InChIKey of 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide?
The InChIKey is ZNSCLVGYGYHGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-13(17)3-1-2-7-16-12-4-8-19-14(11-12)5-9-18-10-6-14/h12,16H,1-11H2,(H2,15,17).
What are the key properties of 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide?
5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide has a molecular weight of 270.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,9-dioxaspiro[5.5]undecan-4-ylamino)pentanamide is sourced from PubChem (CID 106237589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).