6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine

C30H64N2O2 — CID 144805334

IUPAC6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
SMILESCC(C)(N)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CN
InChIInChI=1S/C30H64N2O2/c1-23(2,17-26(7,8)32)18-27(9,10)33-28(11,12)19-24(3,4)20-29(13,14)34-30(15,16)21-25(5,6)22-31/h17-22,31-32H2,1-16H3
InChIKeyHFWMEVDCXXNSRW-UHFFFAOYSA-N
MW484.85 g/mol
LogP7.86
Rot. Bonds15

About 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine

6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine (PubChem CID 144805334) has the molecular formula C30H64N2O2 and a molecular weight of 484.85 g/mol. Its IUPAC name is 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine.

Molecular Properties

Compound Name6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
PubChem CID144805334
Molecular FormulaC30H64N2O2
Molecular Weight484.85 g/mol
Exact Mass484.50
IUPAC Name6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
SMILESCC(C)(N)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CN
InChIInChI=1S/C30H64N2O2/c1-23(2,17-26(7,8)32)18-27(9,10)33-28(11,12)19-24(3,4)20-29(13,14)34-30(15,16)21-25(5,6)22-31/h17-22,31-32H2,1-16H3
InChIKeyHFWMEVDCXXNSRW-UHFFFAOYSA-N
XLogP7.86
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.85
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2,2,4-trimethylpentane-1,4-diamine
CID 87112848
4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444
6-(3-amino-2,2-dimethylpropyl)-2,4,4,8,8,10-hexamethyl-6-propylundecane-2,10-diamine
CID 155130615
5-[2-[(3-amino-2,2-dimethylpropoxy)methyl]-3-(4-amino-2,2,4-trimethylpentoxy)-2-[(4-amino-2,2,4-trimethylpentoxy)methyl]propoxy]-2,4,4-trimethylpentan-2-amine
CID 155267878
2,4-dimethyl-4-(2-methylpentan-2-yloxy)pentan-2-amine
CID 137447361
1,1-diiodo-3,3-dimethylbutane-1,4-diamine
CID 88513715
2,2-dimethylpropane-1,3-diamine
CID 162099967
6-N,2,4,4,6-pentamethylheptane-2,6-diamine
CID 146667491
2,4,4,6,6,8,8,10,10-nonamethyltridecan-2-amine
CID 90836053
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912
1-N-(3-amino-2,2-dimethylpropyl)-1-N-(3-amino-3-methylbutyl)-2,2,4-trimethylpentane-1,4-diamine
CID 143443544
ethane;2,2,4-trimethyl-4-N-(2,4,4,6,6-pentamethyloctan-2-yl)pentane-1,4-diamine
CID 145086421

Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine?
The IUPAC name of 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine (CID 144805334) is 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine.
What is the SMILES notation for 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine?
The canonical SMILES for 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine is CC(C)(N)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CC(C)(C)OC(C)(C)CC(C)(C)CN.
What is the InChIKey of 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine?
The InChIKey is HFWMEVDCXXNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2O2/c1-23(2,17-26(7,8)32)18-27(9,10)33-28(11,12)19-24(3,4)20-29(13,14)34-30(15,16)21-25(5,6)22-31/h17-22,31-32H2,1-16H3.
What are the key properties of 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine?
6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine has a molecular weight of 484.85 g/mol, XLogP of 7.86, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine is sourced from PubChem (CID 144805334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).