1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine

C24H54N4O5 — CID 155605635

IUPAC1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
SMILESCCC(COCC(C)N)(COCC(C)N)COCC(CC)(COCC(C)N)COCC(C)N
InChIInChI=1S/C24H54N4O5/c1-7-23(13-29-9-19(3)25,14-30-10-20(4)26)17-33-18-24(8-2,15-31-11-21(5)27)16-32-12-22(6)28/h19-22H,7-18,25-28H2,1-6H3
InChIKeyFAOJHDMPSZZWED-UHFFFAOYSA-N
MW478.72 g/mol
LogP1.25
Rot. Bonds22

About 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine

1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine (PubChem CID 155605635) has the molecular formula C24H54N4O5 and a molecular weight of 478.72 g/mol. Its IUPAC name is 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
PubChem CID155605635
Molecular FormulaC24H54N4O5
Molecular Weight478.72 g/mol
Exact Mass478.41
IUPAC Name1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
SMILESCCC(COCC(C)N)(COCC(C)N)COCC(CC)(COCC(C)N)COCC(C)N
InChIInChI=1S/C24H54N4O5/c1-7-23(13-29-9-19(3)25,14-30-10-20(4)26)17-33-18-24(8-2,15-31-11-21(5)27)16-32-12-22(6)28/h19-22H,7-18,25-28H2,1-6H3
InChIKeyFAOJHDMPSZZWED-UHFFFAOYSA-N
XLogP1.25
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.72
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine with MolForge

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Related Compounds

tris(1-[2,2-bis(2-aminoethoxymethyl)butoxy]propan-2-amine);tris(1-[2,2-bis(2-aminopropoxymethyl)butoxy]propan-2-amine)
CID 163666427
bis(1-(2-aminopropoxy)propan-2-amine);(Z)-3-[2,2-bis[[(E)-3-aminoprop-2-enoxy]methyl]butoxy]prop-1-en-1-amine;methane
CID 158039812
4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine
CID 170286523
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
CID 140632419
2-[2-(2-aminoethoxymethyl)-2-[2,2-bis(2-aminoethoxymethyl)butoxymethyl]butoxy]ethanamine
CID 155605637
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-2-[2,2-bis[2-(2-aminoethoxy)ethoxymethyl]butoxymethyl]butoxy]ethoxy]ethanamine
CID 176847062
CID 58841248
CID 58841248
2,2-bis(hydroxymethoxymethyl)butoxymethanol
CID 126644173
2-[[2-[1,3-bis[2,2-bis(hydroxymethyl)butoxy]propan-2-yloxy]-3-[2-ethyl-2-(hydroxymethyl)butoxy]propoxy]methyl]-2-ethylpropane-1,3-diol
CID 135274617

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine?
The IUPAC name of 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine (CID 155605635) is 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine.
What is the SMILES notation for 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine?
The canonical SMILES for 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine is CCC(COCC(C)N)(COCC(C)N)COCC(CC)(COCC(C)N)COCC(C)N.
What is the InChIKey of 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine?
The InChIKey is FAOJHDMPSZZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N4O5/c1-7-23(13-29-9-19(3)25,14-30-10-20(4)26)17-33-18-24(8-2,15-31-11-21(5)27)16-32-12-22(6)28/h19-22H,7-18,25-28H2,1-6H3.
What are the key properties of 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine?
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine has a molecular weight of 478.72 g/mol, XLogP of 1.25, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine is sourced from PubChem (CID 155605635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).