1-methoxy-N-(4-methoxybutyl)hexan-2-amine

C12H27NO2 — CID 115709746

IUPAC1-methoxy-N-(4-methoxybutyl)hexan-2-amine
SMILESCCCCC(COC)NCCCCOC
InChIInChI=1S/C12H27NO2/c1-4-5-8-12(11-15-3)13-9-6-7-10-14-2/h12-13H,4-11H2,1-3H3
InChIKeyYZRHTRKAIVMOPB-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds11

About 1-methoxy-N-(4-methoxybutyl)hexan-2-amine

1-methoxy-N-(4-methoxybutyl)hexan-2-amine (PubChem CID 115709746) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-methoxy-N-(4-methoxybutyl)hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(4-methoxybutyl)hexan-2-amine
PubChem CID115709746
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-methoxy-N-(4-methoxybutyl)hexan-2-amine
SMILESCCCCC(COC)NCCCCOC
InChIInChI=1S/C12H27NO2/c1-4-5-8-12(11-15-3)13-9-6-7-10-14-2/h12-13H,4-11H2,1-3H3
InChIKeyYZRHTRKAIVMOPB-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
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

1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
CID 115720755
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
5-methoxy-4-N-[4-(2-methoxyethoxy)butyl]pentane-1,4-diamine
CID 103390928
N-(1-chloro-3-methoxypropan-2-yl)nonan-1-amine
CID 106180457
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
1-methoxy-N-propyldodecan-4-amine
CID 65091880
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
3-(1-methoxyhexan-2-ylamino)-N-methylpropanamide
CID 115712706

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(4-methoxybutyl)hexan-2-amine?
The IUPAC name of 1-methoxy-N-(4-methoxybutyl)hexan-2-amine (CID 115709746) is 1-methoxy-N-(4-methoxybutyl)hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-(4-methoxybutyl)hexan-2-amine?
The canonical SMILES for 1-methoxy-N-(4-methoxybutyl)hexan-2-amine is CCCCC(COC)NCCCCOC.
What is the InChIKey of 1-methoxy-N-(4-methoxybutyl)hexan-2-amine?
The InChIKey is YZRHTRKAIVMOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-4-5-8-12(11-15-3)13-9-6-7-10-14-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-N-(4-methoxybutyl)hexan-2-amine?
1-methoxy-N-(4-methoxybutyl)hexan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(4-methoxybutyl)hexan-2-amine is sourced from PubChem (CID 115709746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).