1-methoxyheptan-4-amine

C8H19NO — CID 43370439

IUPAC1-methoxyheptan-4-amine
SMILESCCCC(N)CCCOC
InChIInChI=1S/C8H19NO/c1-3-5-8(9)6-4-7-10-2/h8H,3-7,9H2,1-2H3
InChIKeyAPJKZWLLCCSJCV-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds6

About 1-methoxyheptan-4-amine

1-methoxyheptan-4-amine (PubChem CID 43370439) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-methoxyheptan-4-amine.

Molecular Properties

Compound Name1-methoxyheptan-4-amine
PubChem CID43370439
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-methoxyheptan-4-amine
SMILESCCCC(N)CCCOC
InChIInChI=1S/C8H19NO/c1-3-5-8(9)6-4-7-10-2/h8H,3-7,9H2,1-2H3
InChIKeyAPJKZWLLCCSJCV-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
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

1-methoxy-7-methyloctan-4-amine
CID 62603924
1-[(2-methylpropan-2-yl)oxy]heptan-4-amine
CID 112590452
1-N,1-N-dibutyl-5-methoxypentane-1,2-diamine
CID 81101024
(4R)-tridecan-4-amine
CID 150614684
5-methoxy-1-N-octylpentane-1,2-diamine
CID 113337399
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
(5-amino-8-methoxyoctyl)boronic acid
CID 88577036
azane;heptan-4-amine
CID 118430725
(2S)-5-methoxypentan-2-amine
CID 93315322
heptane-1,4-diamine
CID 18547393
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of 1-methoxyheptan-4-amine?
The IUPAC name of 1-methoxyheptan-4-amine (CID 43370439) is 1-methoxyheptan-4-amine.
What is the SMILES notation for 1-methoxyheptan-4-amine?
The canonical SMILES for 1-methoxyheptan-4-amine is CCCC(N)CCCOC.
What is the InChIKey of 1-methoxyheptan-4-amine?
The InChIKey is APJKZWLLCCSJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-8(9)6-4-7-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-methoxyheptan-4-amine?
1-methoxyheptan-4-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyheptan-4-amine is sourced from PubChem (CID 43370439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).