2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine

About 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine

2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine (PubChem CID 167257608) has the molecular formula C37H77NO6 and a molecular weight of 632.02 g/mol. Its IUPAC name is 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name	2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine
PubChem CID	167257608
Molecular Formula	C37H77NO6
Molecular Weight	632.02 g/mol
Exact Mass	631.58
IUPAC Name	2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine
SMILES	CC(C)(CCOCCCCOC(C)(C)C)CCC(C)(CC(C)(C)CCOCCNC(C)(C)C)OCCOCCOC(C)(C)C
InChI	InChI=1S/C37H77NO6/c1-32(2,3)38-21-26-40-25-20-36(12,13)31-37(14,44-30-28-41-27-29-43-34(7,8)9)18-17-35(10,11)19-24-39-22-15-16-23-42-33(4,5)6/h38H,15-31H2,1-14H3
InChIKey	NVALZYLRWDMHLU-UHFFFAOYSA-N
XLogP	8.61
TPSA	67.41 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	26
Heavy Atoms	44
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.02
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine?

The IUPAC name of 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine (CID 167257608) is 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine.

What is the SMILES notation for 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine?

The canonical SMILES for 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine is CC(C)(CCOCCCCOC(C)(C)C)CCC(C)(CC(C)(C)CCOCCNC(C)(C)C)OCCOCCOC(C)(C)C.

What is the InChIKey of 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine?

The InChIKey is NVALZYLRWDMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77NO6/c1-32(2,3)38-21-26-40-25-20-36(12,13)31-37(14,44-30-28-41-27-29-43-34(7,8)9)18-17-35(10,11)19-24-39-22-15-16-23-42-33(4,5)6/h38H,15-31H2,1-14H3.

What are the key properties of 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine?

2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine has a molecular weight of 632.02 g/mol, XLogP of 8.61, 26 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-[3,3,5,8,8-pentamethyl-10-[4-[(2-methylpropan-2-yl)oxy]butoxy]-5-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]decoxy]ethyl]propan-2-amine is sourced from PubChem (CID 167257608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).