4-amino-1-methoxyheptan-2-one

C8H17NO2 — CID 116607814

IUPAC4-amino-1-methoxyheptan-2-one
SMILESCCCC(N)CC(=O)COC
InChIInChI=1S/C8H17NO2/c1-3-4-7(9)5-8(10)6-11-2/h7H,3-6,9H2,1-2H3
InChIKeyFBTVMQCFYCWGJV-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds6

About 4-amino-1-methoxyheptan-2-one

4-amino-1-methoxyheptan-2-one (PubChem CID 116607814) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-amino-1-methoxyheptan-2-one.

Molecular Properties

Compound Name4-amino-1-methoxyheptan-2-one
PubChem CID116607814
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-amino-1-methoxyheptan-2-one
SMILESCCCC(N)CC(=O)COC
InChIInChI=1S/C8H17NO2/c1-3-4-7(9)5-8(10)6-11-2/h7H,3-6,9H2,1-2H3
InChIKeyFBTVMQCFYCWGJV-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-aminooctan-3-one
CID 116607745
6-aminononan-4-one
CID 116607782
1,4-dimethoxyheptan-2-one
CID 175419718
4-aminotridecan-6-one
CID 116607784
1-methoxy-4-methylpentan-2-one
CID 13108539
3-aminohexanoyl chloride;hydrochloride
CID 174572302
1-methoxy-4-methylhexan-2-one
CID 62619896
8-aminoundec-2-yn-6-one
CID 116608034
5-amino-1-methoxy-4-methylpentan-2-one
CID 116596528
1-methoxy-4,5,5-trimethylhexan-2-one
CID 115783352
4-amino-1-propoxyhexan-2-one
CID 116609105
4,5-dihydroxy-1-methoxyhexan-2-one
CID 54489389

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxyheptan-2-one?
The IUPAC name of 4-amino-1-methoxyheptan-2-one (CID 116607814) is 4-amino-1-methoxyheptan-2-one.
What is the SMILES notation for 4-amino-1-methoxyheptan-2-one?
The canonical SMILES for 4-amino-1-methoxyheptan-2-one is CCCC(N)CC(=O)COC.
What is the InChIKey of 4-amino-1-methoxyheptan-2-one?
The InChIKey is FBTVMQCFYCWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-7(9)5-8(10)6-11-2/h7H,3-6,9H2,1-2H3.
What are the key properties of 4-amino-1-methoxyheptan-2-one?
4-amino-1-methoxyheptan-2-one has a molecular weight of 159.23 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxyheptan-2-one is sourced from PubChem (CID 116607814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).