3-methyl-1-propoxyhexan-2-amine

C10H23NO — CID 105008414

IUPAC3-methyl-1-propoxyhexan-2-amine
SMILESCCCOCC(N)C(C)CCC
InChIInChI=1S/C10H23NO/c1-4-6-9(3)10(11)8-12-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyGLFMREHRLYABRK-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About 3-methyl-1-propoxyhexan-2-amine

3-methyl-1-propoxyhexan-2-amine (PubChem CID 105008414) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-methyl-1-propoxyhexan-2-amine.

Molecular Properties

Compound Name3-methyl-1-propoxyhexan-2-amine
PubChem CID105008414
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-methyl-1-propoxyhexan-2-amine
SMILESCCCOCC(N)C(C)CCC
InChIInChI=1S/C10H23NO/c1-4-6-9(3)10(11)8-12-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyGLFMREHRLYABRK-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-propoxypentan-2-amine
CID 79446501
1-ethoxy-3-methylhexan-2-amine
CID 105007979
1-methoxy-3-methylhexan-2-amine
CID 105008836
3-methoxy-1-propoxyhexan-2-amine
CID 116718707
2,3,4-trimethyl-1-propoxypentane
CID 121286105
(2R)-1-[2-[2-[(2R)-2-amino-3-methylbutoxy]ethoxy]ethoxy]-3-methylbutan-2-amine
CID 101253534
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(3S)-1-(2,2-difluoroethoxy)hexan-3-amine
CID 103151205
4-methyltetradecan-5-amine
CID 115831509
2,2,5-trimethyloctan-4-amine
CID 107893664
1-(2-propoxyethoxy)butan-2-amine
CID 63685815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propoxyhexan-2-amine?
The IUPAC name of 3-methyl-1-propoxyhexan-2-amine (CID 105008414) is 3-methyl-1-propoxyhexan-2-amine.
What is the SMILES notation for 3-methyl-1-propoxyhexan-2-amine?
The canonical SMILES for 3-methyl-1-propoxyhexan-2-amine is CCCOCC(N)C(C)CCC.
What is the InChIKey of 3-methyl-1-propoxyhexan-2-amine?
The InChIKey is GLFMREHRLYABRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-9(3)10(11)8-12-7-5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 3-methyl-1-propoxyhexan-2-amine?
3-methyl-1-propoxyhexan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propoxyhexan-2-amine is sourced from PubChem (CID 105008414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).