2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine

C15H30N2O4 — CID 70006438

IUPAC2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine
SMILESCCC(CN)C1OCC2(CO1)COC(C(CC)CN)OC2
InChIInChI=1S/C15H30N2O4/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14H,3-10,16-17H2,1-2H3
InChIKeyFREJONWCGGCQPW-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.69
Rot. Bonds6

About 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine

2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine (PubChem CID 70006438) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine.

Molecular Properties

Compound Name2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine
PubChem CID70006438
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine
SMILESCCC(CN)C1OCC2(CO1)COC(C(CC)CN)OC2
InChIInChI=1S/C15H30N2O4/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14H,3-10,16-17H2,1-2H3
InChIKeyFREJONWCGGCQPW-UHFFFAOYSA-N
XLogP0.69
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine?
The IUPAC name of 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine (CID 70006438) is 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine.
What is the SMILES notation for 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine?
The canonical SMILES for 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine is CCC(CN)C1OCC2(CO1)COC(C(CC)CN)OC2.
What is the InChIKey of 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine?
The InChIKey is FREJONWCGGCQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-3-11(5-16)13-18-7-15(8-19-13)9-20-14(21-10-15)12(4-2)6-17/h11-14H,3-10,16-17H2,1-2H3.
What are the key properties of 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine?
2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine has a molecular weight of 302.42 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminobutan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]butan-1-amine is sourced from PubChem (CID 70006438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).