5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine

C15H33NO — CID 140921870

IUPAC5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine
SMILESCOC(C(C)C)C(C)C(C(C)C)N(C)C(C)C
InChIInChI=1S/C15H33NO/c1-10(2)14(16(8)12(5)6)13(7)15(17-9)11(3)4/h10-15H,1-9H3
InChIKeyDJAVXRKVZCDFIO-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.66
Rot. Bonds7

About 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine

5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine (PubChem CID 140921870) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine.

Molecular Properties

Compound Name5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine
PubChem CID140921870
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine
SMILESCOC(C(C)C)C(C)C(C(C)C)N(C)C(C)C
InChIInChI=1S/C15H33NO/c1-10(2)14(16(8)12(5)6)13(7)15(17-9)11(3)4/h10-15H,1-9H3
InChIKeyDJAVXRKVZCDFIO-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine?
The IUPAC name of 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine (CID 140921870) is 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine.
What is the SMILES notation for 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine?
The canonical SMILES for 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine is COC(C(C)C)C(C)C(C(C)C)N(C)C(C)C.
What is the InChIKey of 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine?
The InChIKey is DJAVXRKVZCDFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-10(2)14(16(8)12(5)6)13(7)15(17-9)11(3)4/h10-15H,1-9H3.
What are the key properties of 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine?
5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine has a molecular weight of 243.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2,4,6-tetramethyl-N-propan-2-ylheptan-3-amine is sourced from PubChem (CID 140921870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).