1-(oxan-4-yl)hexane-1,2-diamine

C11H24N2O — CID 69113844

IUPAC1-(oxan-4-yl)hexane-1,2-diamine
SMILESCCCCC(N)C(N)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-10(12)11(13)9-5-7-14-8-6-9/h9-11H,2-8,12-13H2,1H3
InChIKeyKGTAQKCSLPHNFY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.26
Rot. Bonds5

About 1-(oxan-4-yl)hexane-1,2-diamine

1-(oxan-4-yl)hexane-1,2-diamine (PubChem CID 69113844) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(oxan-4-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-(oxan-4-yl)hexane-1,2-diamine
PubChem CID69113844
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(oxan-4-yl)hexane-1,2-diamine
SMILESCCCCC(N)C(N)C1CCOCC1
InChIInChI=1S/C11H24N2O/c1-2-3-4-10(12)11(13)9-5-7-14-8-6-9/h9-11H,2-8,12-13H2,1H3
InChIKeyKGTAQKCSLPHNFY-UHFFFAOYSA-N
XLogP1.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)hexane-1,2-diamine?
The IUPAC name of 1-(oxan-4-yl)hexane-1,2-diamine (CID 69113844) is 1-(oxan-4-yl)hexane-1,2-diamine.
What is the SMILES notation for 1-(oxan-4-yl)hexane-1,2-diamine?
The canonical SMILES for 1-(oxan-4-yl)hexane-1,2-diamine is CCCCC(N)C(N)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)hexane-1,2-diamine?
The InChIKey is KGTAQKCSLPHNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-3-4-10(12)11(13)9-5-7-14-8-6-9/h9-11H,2-8,12-13H2,1H3.
What are the key properties of 1-(oxan-4-yl)hexane-1,2-diamine?
1-(oxan-4-yl)hexane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)hexane-1,2-diamine is sourced from PubChem (CID 69113844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).