3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

C9H21NO — CID 103019828

IUPAC3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)10-7-6-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyVDDROURRHHPGMO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds5

About 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 103019828) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID103019828
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCOC(C)(C)CCNC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)10-7-6-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyVDDROURRHHPGMO-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (CID 103019828) is 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is COC(C)(C)CCNC(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is VDDROURRHHPGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)10-7-6-9(3,4)11-5/h8,10H,6-7H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 103019828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).