4-propan-2-yloxyhexane-1,3-diamine

C9H22N2O — CID 22385511

IUPAC4-propan-2-yloxyhexane-1,3-diamine
SMILESCCC(OC(C)C)C(N)CCN
InChIInChI=1S/C9H22N2O/c1-4-9(12-7(2)3)8(11)5-6-10/h7-9H,4-6,10-11H2,1-3H3
InChIKeyZJZXEFRKUJSDOR-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.87
Rot. Bonds6

About 4-propan-2-yloxyhexane-1,3-diamine

4-propan-2-yloxyhexane-1,3-diamine (PubChem CID 22385511) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 4-propan-2-yloxyhexane-1,3-diamine.

Molecular Properties

Compound Name4-propan-2-yloxyhexane-1,3-diamine
PubChem CID22385511
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name4-propan-2-yloxyhexane-1,3-diamine
SMILESCCC(OC(C)C)C(N)CCN
InChIInChI=1S/C9H22N2O/c1-4-9(12-7(2)3)8(11)5-6-10/h7-9H,4-6,10-11H2,1-3H3
InChIKeyZJZXEFRKUJSDOR-UHFFFAOYSA-N
XLogP0.87
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxyhexane-1,3-diamine?
The IUPAC name of 4-propan-2-yloxyhexane-1,3-diamine (CID 22385511) is 4-propan-2-yloxyhexane-1,3-diamine.
What is the SMILES notation for 4-propan-2-yloxyhexane-1,3-diamine?
The canonical SMILES for 4-propan-2-yloxyhexane-1,3-diamine is CCC(OC(C)C)C(N)CCN.
What is the InChIKey of 4-propan-2-yloxyhexane-1,3-diamine?
The InChIKey is ZJZXEFRKUJSDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-9(12-7(2)3)8(11)5-6-10/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of 4-propan-2-yloxyhexane-1,3-diamine?
4-propan-2-yloxyhexane-1,3-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxyhexane-1,3-diamine is sourced from PubChem (CID 22385511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).