4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine

C12H28N2O — CID 89402447

IUPAC4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine
SMILESCNCC(C)CCOC(C)(C)CCCN
InChIInChI=1S/C12H28N2O/c1-11(10-14-4)6-9-15-12(2,3)7-5-8-13/h11,14H,5-10,13H2,1-4H3
InChIKeyXBTQRQHDZHSQNN-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.77
Rot. Bonds9

About 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine

4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine (PubChem CID 89402447) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine
PubChem CID89402447
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine
SMILESCNCC(C)CCOC(C)(C)CCCN
InChIInChI=1S/C12H28N2O/c1-11(10-14-4)6-9-15-12(2,3)7-5-8-13/h11,14H,5-10,13H2,1-4H3
InChIKeyXBTQRQHDZHSQNN-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine?
The IUPAC name of 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine (CID 89402447) is 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine.
What is the SMILES notation for 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine?
The canonical SMILES for 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine is CNCC(C)CCOC(C)(C)CCCN.
What is the InChIKey of 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine?
The InChIKey is XBTQRQHDZHSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(10-14-4)6-9-15-12(2,3)7-5-8-13/h11,14H,5-10,13H2,1-4H3.
What are the key properties of 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine?
4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-methyl-4-(methylamino)butoxy]pentan-1-amine is sourced from PubChem (CID 89402447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).