4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine

C24H53N3O3 — CID 170286523

IUPAC4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine
SMILESCCC(COCC(C)N)(CC(C)(C)OCC(C)N)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C24H53N3O3/c1-11-24(17-28-13-19(3)25,16-22(7,8)30-14-20(4)26)15-21(5,6)29-12-18(2)23(9,10)27/h18-20H,11-17,25-27H2,1-10H3
InChIKeyHTUUMLTWLBMUDO-UHFFFAOYSA-N
MW431.71 g/mol
LogP3.84
Rot. Bonds16

About 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine

4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine (PubChem CID 170286523) has the molecular formula C24H53N3O3 and a molecular weight of 431.71 g/mol. Its IUPAC name is 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine
PubChem CID170286523
Molecular FormulaC24H53N3O3
Molecular Weight431.71 g/mol
Exact Mass431.41
IUPAC Name4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine
SMILESCCC(COCC(C)N)(CC(C)(C)OCC(C)N)CC(C)(C)OCC(C)C(C)(C)N
InChIInChI=1S/C24H53N3O3/c1-11-24(17-28-13-19(3)25,16-22(7,8)30-14-20(4)26)15-21(5,6)29-12-18(2)23(9,10)27/h18-20H,11-17,25-27H2,1-10H3
InChIKeyHTUUMLTWLBMUDO-UHFFFAOYSA-N
XLogP3.84
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.71
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine with MolForge

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Related Compounds

1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
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
3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
CID 140632419
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
CID 130217524
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3-trimethylpentoxy]-4-methylpentan-2-amine
CID 89130713
2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The IUPAC name of 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine (CID 170286523) is 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The canonical SMILES for 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine is CCC(COCC(C)N)(CC(C)(C)OCC(C)N)CC(C)(C)OCC(C)C(C)(C)N.
What is the InChIKey of 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The InChIKey is HTUUMLTWLBMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H53N3O3/c1-11-24(17-28-13-19(3)25,16-22(7,8)30-14-20(4)26)15-21(5,6)29-12-18(2)23(9,10)27/h18-20H,11-17,25-27H2,1-10H3.
What are the key properties of 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine?
4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine has a molecular weight of 431.71 g/mol, XLogP of 3.84, 16 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-aminopropoxy)-4-(2-aminopropoxymethyl)-4-ethyl-2,6-dimethylheptan-2-yl]oxy-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 170286523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).