N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine

C12H27NO2 — CID 115001748

IUPACN-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
SMILESCCNC(CCOCCC(C)C)COC
InChIInChI=1S/C12H27NO2/c1-5-13-12(10-14-4)7-9-15-8-6-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyVFUPHPSYAZXMGI-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds10

About N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine

N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine (PubChem CID 115001748) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
PubChem CID115001748
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
SMILESCCNC(CCOCCC(C)C)COC
InChIInChI=1S/C12H27NO2/c1-5-13-12(10-14-4)7-9-15-8-6-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyVFUPHPSYAZXMGI-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(2-methoxyethoxy)-1-propan-2-yloxybutan-2-amine
CID 102928377
1,4-diethoxy-N-ethylbutan-2-amine
CID 105165238
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
N-ethyl-1-methoxydecan-2-amine
CID 62320563
2-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 107505563
N-ethyl-1-propoxyhexan-3-amine
CID 105080266
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
N-ethyl-1-(2-methoxyethoxy)-5-methylhex-5-en-3-amine
CID 102928326
1-methoxy-N-[2-(2-methylpropoxy)ethyl]pentan-2-amine
CID 106452067
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine (CID 115001748) is N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine is CCNC(CCOCCC(C)C)COC.
What is the InChIKey of N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine?
The InChIKey is VFUPHPSYAZXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-13-12(10-14-4)7-9-15-8-6-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine?
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine is sourced from PubChem (CID 115001748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).