3-methoxyheptan-4-amine

C8H19NO — CID 43184582

IUPAC3-methoxyheptan-4-amine
SMILESCCCC(N)C(CC)OC
InChIInChI=1S/C8H19NO/c1-4-6-7(9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3
InChIKeyUUIMBKHWZWUJFR-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds5

About 3-methoxyheptan-4-amine

3-methoxyheptan-4-amine (PubChem CID 43184582) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methoxyheptan-4-amine.

Molecular Properties

Compound Name3-methoxyheptan-4-amine
PubChem CID43184582
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-methoxyheptan-4-amine
SMILESCCCC(N)C(CC)OC
InChIInChI=1S/C8H19NO/c1-4-6-7(9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3
InChIKeyUUIMBKHWZWUJFR-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

rac-(1R,2R)-2-ethoxycycloheptan-1-amine
CID 30818327
2-Methoxycycloheptan-1-amine hydrochloride
CID 73994762
2-Methoxyheptan-1-amine
CID 54437910
2-Methoxycycloheptan-1-amine
CID 16788714
7-Aminobutyltriethoxysilane
CID 129776596
3-(2,2,3,3-Tetrafluoropropoxy)heptan-4-amine
CID 45283059
3-(2,2,2-Trifluoroethoxy)heptan-4-amine
CID 45283547
2-Ethoxy-6,6,6-trifluorohexan-3-amine
CID 64566207
3-(1,1,1-Trifluoropropan-2-yloxy)heptan-4-amine
CID 66276962
3-(2,2-Difluoroethoxy)heptan-4-amine
CID 82004543
3-(4,4,4-Trifluorobutoxy)heptan-4-amine
CID 82788570
3-(3,3,3-Trifluoropropoxy)heptan-4-amine
CID 82956628

Frequently Asked Questions

What is the IUPAC name of 3-methoxyheptan-4-amine?
The IUPAC name of 3-methoxyheptan-4-amine (CID 43184582) is 3-methoxyheptan-4-amine.
What is the SMILES notation for 3-methoxyheptan-4-amine?
The canonical SMILES for 3-methoxyheptan-4-amine is CCCC(N)C(CC)OC.
What is the InChIKey of 3-methoxyheptan-4-amine?
The InChIKey is UUIMBKHWZWUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-6-7(9)8(5-2)10-3/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3-methoxyheptan-4-amine?
3-methoxyheptan-4-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyheptan-4-amine is sourced from PubChem (CID 43184582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).