6-propoxyheptan-3-amine

C10H23NO — CID 91107877

IUPAC6-propoxyheptan-3-amine
SMILESCCCOC(C)CCC(N)CC
InChIInChI=1S/C10H23NO/c1-4-8-12-9(3)6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyZFDVJVIQBPWXJR-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.32
Rot. Bonds7

About 6-propoxyheptan-3-amine

6-propoxyheptan-3-amine (PubChem CID 91107877) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 6-propoxyheptan-3-amine.

Molecular Properties

Compound Name6-propoxyheptan-3-amine
PubChem CID91107877
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name6-propoxyheptan-3-amine
SMILESCCCOC(C)CCC(N)CC
InChIInChI=1S/C10H23NO/c1-4-8-12-9(3)6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyZFDVJVIQBPWXJR-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propoxyheptan-3-amine?
The IUPAC name of 6-propoxyheptan-3-amine (CID 91107877) is 6-propoxyheptan-3-amine.
What is the SMILES notation for 6-propoxyheptan-3-amine?
The canonical SMILES for 6-propoxyheptan-3-amine is CCCOC(C)CCC(N)CC.
What is the InChIKey of 6-propoxyheptan-3-amine?
The InChIKey is ZFDVJVIQBPWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-8-12-9(3)6-7-10(11)5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 6-propoxyheptan-3-amine?
6-propoxyheptan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxyheptan-3-amine is sourced from PubChem (CID 91107877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).