4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine

C28H60N2O3 — CID 175624779

IUPAC4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
SMILESCC(COC(C)(C)C(C)(C)CCOC(C)(C)C(C)(C)C(C)COC(C)(C)C(C)N)C(C)(C)N
InChIInChI=1S/C28H60N2O3/c1-20(18-32-26(10,11)22(3)29)24(6,7)28(14,15)31-17-16-23(4,5)27(12,13)33-19-21(2)25(8,9)30/h20-22H,16-19,29-30H2,1-15H3
InChIKeyVTPIANIWBOPQLT-UHFFFAOYSA-N
MW472.80 g/mol
LogP6.17
Rot. Bonds15

About 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine

4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine (PubChem CID 175624779) has the molecular formula C28H60N2O3 and a molecular weight of 472.80 g/mol. Its IUPAC name is 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
PubChem CID175624779
Molecular FormulaC28H60N2O3
Molecular Weight472.80 g/mol
Exact Mass472.46
IUPAC Name4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine
SMILESCC(COC(C)(C)C(C)(C)CCOC(C)(C)C(C)(C)C(C)COC(C)(C)C(C)N)C(C)(C)N
InChIInChI=1S/C28H60N2O3/c1-20(18-32-26(10,11)22(3)29)24(6,7)28(14,15)31-17-16-23(4,5)27(12,13)33-19-21(2)25(8,9)30/h20-22H,16-19,29-30H2,1-15H3
InChIKeyVTPIANIWBOPQLT-UHFFFAOYSA-N
XLogP6.17
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.80
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine with MolForge

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Related Compounds

2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-amine
CID 89018610
2-methyl-4-[2,3,3,4-tetramethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxypentan-2-yl]oxybutan-2-ol
CID 90349773
N-[4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3,4-tetramethylpentoxy]-4-methylpentan-2-yl]-3,3,4-trifluoro-2,2,4-trimethylpentanamide
CID 129140644
4-[4-[4-(3-amino-2,3-dimethylbutoxy)-3,3,4-trimethylpentoxy]-2,3,3-trimethylpentoxy]-4-methylpentan-2-amine
CID 89130713
4-(3-amino-2,3-dimethylbutoxy)-3,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-3-amine
CID 131965733
5-[5-[5-[4-[3-[5-[5-(4-hydroxybutoxy)pentoxy]-5-methylhexoxy]propoxy]-2,3,3,4-tetramethylpentoxy]-5-methylhexoxy]-5-methylhexoxy]-5-methylhexan-1-ol
CID 166789200
4-amino-2-(3-amino-2,3-dimethylbutoxy)-3-methylbutane-2-thiol
CID 130217524
2-[[2,3-dimethyl-4-[2,3,3-trimethyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]oxybutan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 88941520
3-(2-ethyl-3-methoxy-3-methylbutoxy)-3-methylbutan-2-amine
CID 130307468
5-(3,3-dimethylbutoxy)-3-ethyl-2,3,5-trimethyl-1-[2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyhexane
CID 123287031
2-methyl-4-[2,3,3-trimethyl-5-(2,3,3-trimethyl-5-propan-2-yloxypentan-2-yl)oxyhexan-2-yl]oxybutan-2-ol
CID 87098256
2-[2-(3-amino-2-methylbutan-2-yl)oxyethylamino]ethanol
CID 87214364

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The IUPAC name of 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine (CID 175624779) is 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The canonical SMILES for 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine is CC(COC(C)(C)C(C)(C)CCOC(C)(C)C(C)(C)C(C)COC(C)(C)C(C)N)C(C)(C)N.
What is the InChIKey of 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine?
The InChIKey is VTPIANIWBOPQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2O3/c1-20(18-32-26(10,11)22(3)29)24(6,7)28(14,15)31-17-16-23(4,5)27(12,13)33-19-21(2)25(8,9)30/h20-22H,16-19,29-30H2,1-15H3.
What are the key properties of 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine?
4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine has a molecular weight of 472.80 g/mol, XLogP of 6.17, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(3-amino-2-methylbutan-2-yl)oxy-2,3,3,4-tetramethylpentan-2-yl]oxy-2,3,3-trimethylpentan-2-yl]oxy-2,3-dimethylbutan-2-amine is sourced from PubChem (CID 175624779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).