1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine

C10H23N5O4 — CID 56622855

IUPAC1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
SMILESCC(N)(N)C(N)(N)C(N)(OCC1CO1)OCC1CO1
InChIInChI=1S/C10H23N5O4/c1-8(11,12)9(13,14)10(15,18-4-6-2-16-6)19-5-7-3-17-7/h6-7H,2-5,11-15H2,1H3
InChIKeyVUAJOYFDDVDFAV-UHFFFAOYSA-N
MW277.33 g/mol
LogP-3.32
Rot. Bonds8

About 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine

1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine (PubChem CID 56622855) has the molecular formula C10H23N5O4 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine.

Molecular Properties

Compound Name1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
PubChem CID56622855
Molecular FormulaC10H23N5O4
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Name1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine
SMILESCC(N)(N)C(N)(N)C(N)(OCC1CO1)OCC1CO1
InChIInChI=1S/C10H23N5O4/c1-8(11,12)9(13,14)10(15,18-4-6-2-16-6)19-5-7-3-17-7/h6-7H,2-5,11-15H2,1H3
InChIKeyVUAJOYFDDVDFAV-UHFFFAOYSA-N
XLogP-3.32
TPSA173.62 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-3.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[[2,4-dimethyl-4-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 89152762
2-(butoxymethyl)oxirane;2-[(2-methylpropan-2-yl)oxymethyl]oxirane
CID 161498038
2,4-dimethyl-1,5-bis(oxiran-2-yl)-2,4-bis(oxiran-2-ylmethyl)pentane-3,3-diamine
CID 175809508
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2,4-bis[2-(oxiran-2-ylmethoxy)propan-2-yl]oxetane;ethane;ethene
CID 155574162
2-(1,1-dimethoxypropoxymethyl)oxirane
CID 174508703
2-(3,3-dimethylbut-1-en-2-yloxymethyl)oxirane
CID 157093919
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
1,1,1,2,2,3,3-heptafluorobutane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175116625
2-(1,1,2-trifluoropropoxymethyl)oxirane
CID 87368360
dimethoxymethane;bis(2-(methoxymethyl)oxirane)
CID 159900039
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine?
The IUPAC name of 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine (CID 56622855) is 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine.
What is the SMILES notation for 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine?
The canonical SMILES for 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine is CC(N)(N)C(N)(N)C(N)(OCC1CO1)OCC1CO1.
What is the InChIKey of 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine?
The InChIKey is VUAJOYFDDVDFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O4/c1-8(11,12)9(13,14)10(15,18-4-6-2-16-6)19-5-7-3-17-7/h6-7H,2-5,11-15H2,1H3.
What are the key properties of 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine?
1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine has a molecular weight of 277.33 g/mol, XLogP of -3.32, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(oxiran-2-ylmethoxy)butane-1,2,2,3,3-pentamine is sourced from PubChem (CID 56622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).