(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine

C12H25NO2 — CID 59038624

IUPAC(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine
SMILESCCC(OC1CCCCO1)[C@H](CC)NC
InChIInChI=1S/C12H25NO2/c1-4-10(13-3)11(5-2)15-12-8-6-7-9-14-12/h10-13H,4-9H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyJUABZLSQLIHTTN-UNXYVOJBSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds6

About (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine

(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine (PubChem CID 59038624) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine
PubChem CID59038624
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine
SMILESCCC(OC1CCCCO1)[C@H](CC)NC
InChIInChI=1S/C12H25NO2/c1-4-10(13-3)11(5-2)15-12-8-6-7-9-14-12/h10-13H,4-9H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyJUABZLSQLIHTTN-UNXYVOJBSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine?
The IUPAC name of (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine (CID 59038624) is (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine.
What is the SMILES notation for (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine?
The canonical SMILES for (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine is CCC(OC1CCCCO1)[C@H](CC)NC.
What is the InChIKey of (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine?
The InChIKey is JUABZLSQLIHTTN-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-10(13-3)11(5-2)15-12-8-6-7-9-14-12/h10-13H,4-9H2,1-3H3/t10-,11?,12?/m0/s1.
What are the key properties of (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine?
(3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-4-(oxan-2-yloxy)hexan-3-amine is sourced from PubChem (CID 59038624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).