amino 2,6-bis(methylamino)hexanoate;cyclohexane

C14H31N3O2 — CID 123196847

IUPACamino 2,6-bis(methylamino)hexanoate;cyclohexane
SMILESC1CCCCC1.CNCCCCC(NC)C(=O)ON
InChIInChI=1S/C8H19N3O2.C6H12/c1-10-6-4-3-5-7(11-2)8(12)13-9;1-2-4-6-5-3-1/h7,10-11H,3-6,9H2,1-2H3;1-6H2
InChIKeyYAKOBUPQUBXTMM-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.72
Rot. Bonds7

About amino 2,6-bis(methylamino)hexanoate;cyclohexane

amino 2,6-bis(methylamino)hexanoate;cyclohexane (PubChem CID 123196847) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is amino 2,6-bis(methylamino)hexanoate;cyclohexane.

Molecular Properties

Compound Nameamino 2,6-bis(methylamino)hexanoate;cyclohexane
PubChem CID123196847
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Nameamino 2,6-bis(methylamino)hexanoate;cyclohexane
SMILESC1CCCCC1.CNCCCCC(NC)C(=O)ON
InChIInChI=1S/C8H19N3O2.C6H12/c1-10-6-4-3-5-7(11-2)8(12)13-9;1-2-4-6-5-3-1/h7,10-11H,3-6,9H2,1-2H3;1-6H2
InChIKeyYAKOBUPQUBXTMM-UHFFFAOYSA-N
XLogP1.72
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2,6-bis(methylamino)hexanoate;cyclohexane?
The IUPAC name of amino 2,6-bis(methylamino)hexanoate;cyclohexane (CID 123196847) is amino 2,6-bis(methylamino)hexanoate;cyclohexane.
What is the SMILES notation for amino 2,6-bis(methylamino)hexanoate;cyclohexane?
The canonical SMILES for amino 2,6-bis(methylamino)hexanoate;cyclohexane is C1CCCCC1.CNCCCCC(NC)C(=O)ON.
What is the InChIKey of amino 2,6-bis(methylamino)hexanoate;cyclohexane?
The InChIKey is YAKOBUPQUBXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2.C6H12/c1-10-6-4-3-5-7(11-2)8(12)13-9;1-2-4-6-5-3-1/h7,10-11H,3-6,9H2,1-2H3;1-6H2.
What are the key properties of amino 2,6-bis(methylamino)hexanoate;cyclohexane?
amino 2,6-bis(methylamino)hexanoate;cyclohexane has a molecular weight of 273.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2,6-bis(methylamino)hexanoate;cyclohexane is sourced from PubChem (CID 123196847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).