N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine

C13H29NO — CID 81339100

IUPACN-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
SMILESCOCC(NCCCCC(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-6-7-9-14-13(10-15-5)12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyZOPRYOZDWOLJPE-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds9

About N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine

N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine (PubChem CID 81339100) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
PubChem CID81339100
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine
SMILESCOCC(NCCCCC(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-11(2)8-6-7-9-14-13(10-15-5)12(3)4/h11-14H,6-10H2,1-5H3
InChIKeyZOPRYOZDWOLJPE-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.07
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

N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
N-[(2S)-1-methoxypropan-2-yl]-4-methylpentan-1-amine
CID 88856095
N-(2-fluoroethyl)-1-methoxy-3-methylbutan-2-amine
CID 80694202
N,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
3-[(1-methoxy-3-methylbutan-2-yl)amino]-N-methylpropanamide
CID 65048928
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine (CID 81339100) is N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine is COCC(NCCCCC(C)C)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine?
The InChIKey is ZOPRYOZDWOLJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)8-6-7-9-14-13(10-15-5)12(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine?
N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 81339100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).