4-methoxyhexan-1-amine

C7H17NO — CID 14794836

IUPAC4-methoxyhexan-1-amine
SMILESCCC(CCCN)OC
InChIInChI=1S/C7H17NO/c1-3-7(9-2)5-4-6-8/h7H,3-6,8H2,1-2H3
InChIKeyBBQDKTFCUZDTRH-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.15
Rot. Bonds5

About 4-methoxyhexan-1-amine

4-methoxyhexan-1-amine (PubChem CID 14794836) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-methoxyhexan-1-amine.

Molecular Properties

Compound Name4-methoxyhexan-1-amine
PubChem CID14794836
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-methoxyhexan-1-amine
SMILESCCC(CCCN)OC
InChIInChI=1S/C7H17NO/c1-3-7(9-2)5-4-6-8/h7H,3-6,8H2,1-2H3
InChIKeyBBQDKTFCUZDTRH-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Propan-2-yloxy)butan-1-amine
CID 18672813
2-Ethoxypentan-1-amine
CID 55291173
2-Methoxypentan-1-amine
CID 57217960
4-Methoxypentan-1-amine;hydrochloride
CID 177801044
2-[(2S,3R)-3-ethyloxiran-2-yl]ethanamine
CID 15202905
4-Ethoxy-3-fluoropentan-1-amine
CID 164664084
3-Fluoro-4-methoxyhexan-1-amine
CID 165666312
2-[(2S,3S)-3-ethyloxiran-2-yl]ethanamine
CID 15202907
3-Methoxyhexane-1,6-diamine
CID 14440438
5-Ethoxyhexan-1-amine
CID 14874870
4-Methoxyheptan-1-amine
CID 17952628
4-Methoxyhexane-1,5-diamine
CID 19005195

Frequently Asked Questions

What is the IUPAC name of 4-methoxyhexan-1-amine?
The IUPAC name of 4-methoxyhexan-1-amine (CID 14794836) is 4-methoxyhexan-1-amine.
What is the SMILES notation for 4-methoxyhexan-1-amine?
The canonical SMILES for 4-methoxyhexan-1-amine is CCC(CCCN)OC.
What is the InChIKey of 4-methoxyhexan-1-amine?
The InChIKey is BBQDKTFCUZDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-7(9-2)5-4-6-8/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-methoxyhexan-1-amine?
4-methoxyhexan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhexan-1-amine is sourced from PubChem (CID 14794836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).