N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine

C19H41NO2 — CID 123229777

IUPACN-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine
SMILESCCC(C)(C)CCC(C)(C)OC(C)(C)CCOC(C)(C)NC
InChIInChI=1S/C19H41NO2/c1-11-16(2,3)12-13-17(4,5)22-18(6,7)14-15-21-19(8,9)20-10/h20H,11-15H2,1-10H3
InChIKeyPUPVFQRZHLRHJF-UHFFFAOYSA-N
MW315.54 g/mol
LogP5.14
Rot. Bonds11

About N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine

N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine (PubChem CID 123229777) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine
PubChem CID123229777
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC NameN-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine
SMILESCCC(C)(C)CCC(C)(C)OC(C)(C)CCOC(C)(C)NC
InChIInChI=1S/C19H41NO2/c1-11-16(2,3)12-13-17(4,5)22-18(6,7)14-15-21-19(8,9)20-10/h20H,11-15H2,1-10H3
InChIKeyPUPVFQRZHLRHJF-UHFFFAOYSA-N
XLogP5.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine?
The IUPAC name of N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine (CID 123229777) is N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine is CCC(C)(C)CCC(C)(C)OC(C)(C)CCOC(C)(C)NC.
What is the InChIKey of N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine?
The InChIKey is PUPVFQRZHLRHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2/c1-11-16(2,3)12-13-17(4,5)22-18(6,7)14-15-21-19(8,9)20-10/h20H,11-15H2,1-10H3.
What are the key properties of N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine?
N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine has a molecular weight of 315.54 g/mol, XLogP of 5.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-methyl-3-(2,5,5-trimethylheptan-2-yloxy)butoxy]propan-2-amine is sourced from PubChem (CID 123229777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).