4-(4-aminohexan-3-yloxy)hexan-3-amine

C12H28N2O — CID 19422826

IUPAC4-(4-aminohexan-3-yloxy)hexan-3-amine
SMILESCCC(N)C(CC)OC(CC)C(N)CC
InChIInChI=1S/C12H28N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyXVDXVURFVNLWJJ-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.03
Rot. Bonds8

About 4-(4-aminohexan-3-yloxy)hexan-3-amine

4-(4-aminohexan-3-yloxy)hexan-3-amine (PubChem CID 19422826) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-(4-aminohexan-3-yloxy)hexan-3-amine.

Molecular Properties

Compound Name4-(4-aminohexan-3-yloxy)hexan-3-amine
PubChem CID19422826
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-(4-aminohexan-3-yloxy)hexan-3-amine
SMILESCCC(N)C(CC)OC(CC)C(N)CC
InChIInChI=1S/C12H28N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h9-12H,5-8,13-14H2,1-4H3
InChIKeyXVDXVURFVNLWJJ-UHFFFAOYSA-N
XLogP2.03
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminohexan-3-yloxy)hexan-3-amine?
The IUPAC name of 4-(4-aminohexan-3-yloxy)hexan-3-amine (CID 19422826) is 4-(4-aminohexan-3-yloxy)hexan-3-amine.
What is the SMILES notation for 4-(4-aminohexan-3-yloxy)hexan-3-amine?
The canonical SMILES for 4-(4-aminohexan-3-yloxy)hexan-3-amine is CCC(N)C(CC)OC(CC)C(N)CC.
What is the InChIKey of 4-(4-aminohexan-3-yloxy)hexan-3-amine?
The InChIKey is XVDXVURFVNLWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-9(13)11(7-3)15-12(8-4)10(14)6-2/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of 4-(4-aminohexan-3-yloxy)hexan-3-amine?
4-(4-aminohexan-3-yloxy)hexan-3-amine has a molecular weight of 216.37 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminohexan-3-yloxy)hexan-3-amine is sourced from PubChem (CID 19422826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).