3-methoxy-1-propoxyhexan-2-amine

C10H23NO2 — CID 116718707

IUPAC3-methoxy-1-propoxyhexan-2-amine
SMILESCCCOCC(N)C(CCC)OC
InChIInChI=1S/C10H23NO2/c1-4-6-10(12-3)9(11)8-13-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyPTCIFHZGNKMPJN-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.56
Rot. Bonds8

About 3-methoxy-1-propoxyhexan-2-amine

3-methoxy-1-propoxyhexan-2-amine (PubChem CID 116718707) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methoxy-1-propoxyhexan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-propoxyhexan-2-amine
PubChem CID116718707
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-methoxy-1-propoxyhexan-2-amine
SMILESCCCOCC(N)C(CCC)OC
InChIInChI=1S/C10H23NO2/c1-4-6-10(12-3)9(11)8-13-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyPTCIFHZGNKMPJN-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methoxy-1-propoxyhexan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-1-propoxyhexan-2-amine
CID 105008414
3-methyl-1-propoxypentan-2-amine
CID 79446501
1-cyclopropyl-3-methoxyhexan-2-amine
CID 116718581
1-methoxy-1-phenyl-3-propoxypropan-2-amine
CID 116773005
1,3-dimethoxyhexan-2-ol
CID 116711716
3-methoxy-2-methylhexane
CID 23384964
3-dodecoxy-1,2-dimethoxypropan-1-amine
CID 54347264
1,5-dimethoxy-3-methyloctan-4-amine
CID 116718705
1-methoxy-3-methylhexan-2-amine
CID 105008836
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
1-ethoxy-3-methylhexan-2-amine
CID 105007979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propoxyhexan-2-amine?
The IUPAC name of 3-methoxy-1-propoxyhexan-2-amine (CID 116718707) is 3-methoxy-1-propoxyhexan-2-amine.
What is the SMILES notation for 3-methoxy-1-propoxyhexan-2-amine?
The canonical SMILES for 3-methoxy-1-propoxyhexan-2-amine is CCCOCC(N)C(CCC)OC.
What is the InChIKey of 3-methoxy-1-propoxyhexan-2-amine?
The InChIKey is PTCIFHZGNKMPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-6-10(12-3)9(11)8-13-7-5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-methoxy-1-propoxyhexan-2-amine?
3-methoxy-1-propoxyhexan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propoxyhexan-2-amine is sourced from PubChem (CID 116718707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).