copper;1,6-diaminohexyl acetate

C8H18CuN2O2 — CID 88783047

IUPACcopper;1,6-diaminohexyl acetate
SMILESCC(=O)OC(N)CCCCCN.[Cu]
InChIInChI=1S/C8H18N2O2.Cu/c1-7(11)12-8(10)5-3-2-4-6-9;/h8H,2-6,9-10H2,1H3;
InChIKeyGJNFLVYPEGFQHG-UHFFFAOYSA-N
MW237.79 g/mol
LogP0.35
Rot. Bonds6

About copper;1,6-diaminohexyl acetate

copper;1,6-diaminohexyl acetate (PubChem CID 88783047) has the molecular formula C8H18CuN2O2 and a molecular weight of 237.79 g/mol. Its IUPAC name is copper;1,6-diaminohexyl acetate.

Molecular Properties

Compound Namecopper;1,6-diaminohexyl acetate
PubChem CID88783047
Molecular FormulaC8H18CuN2O2
Molecular Weight237.79 g/mol
Exact Mass237.07
IUPAC Namecopper;1,6-diaminohexyl acetate
SMILESCC(=O)OC(N)CCCCCN.[Cu]
InChIInChI=1S/C8H18N2O2.Cu/c1-7(11)12-8(10)5-3-2-4-6-9;/h8H,2-6,9-10H2,1H3;
InChIKeyGJNFLVYPEGFQHG-UHFFFAOYSA-N
XLogP0.35
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.79
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,6-diaminohexyl (2S)-2,6-diaminohexanoate
CID 57063543
bis(1,6-diaminohexyl) dodecanedioate
CID 57199715
bis(1,5-diaminopentyl) octanedioate
CID 174941470
bis(1,12-diaminododecyl) benzene-1,4-dicarboxylate
CID 174363941
1,6-diaminohexyl N-(1,6-diaminohexyl)carbamate
CID 87788657
1-aminobutyl acetate
CID 22643639
sodium;1,6-diaminohexyl icosanoate;hydride
CID 174649698
(E)-4-(1,6-diaminohexoxy)-4-oxobut-2-enoic acid
CID 139651024
acetyl (2S)-2,6-diaminohexanoate;trihydrate
CID 174752678
3-(10-aminodecyl)pentane-2,4-dione
CID 71337648
bis(1-aminodecyl) oxalate
CID 174693733
5,9-diaminononan-2-one
CID 175346024

Frequently Asked Questions

What is the IUPAC name of copper;1,6-diaminohexyl acetate?
The IUPAC name of copper;1,6-diaminohexyl acetate (CID 88783047) is copper;1,6-diaminohexyl acetate.
What is the SMILES notation for copper;1,6-diaminohexyl acetate?
The canonical SMILES for copper;1,6-diaminohexyl acetate is CC(=O)OC(N)CCCCCN.[Cu].
What is the InChIKey of copper;1,6-diaminohexyl acetate?
The InChIKey is GJNFLVYPEGFQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2.Cu/c1-7(11)12-8(10)5-3-2-4-6-9;/h8H,2-6,9-10H2,1H3;.
What are the key properties of copper;1,6-diaminohexyl acetate?
copper;1,6-diaminohexyl acetate has a molecular weight of 237.79 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,6-diaminohexyl acetate is sourced from PubChem (CID 88783047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).