N-hexylmorpholin-4-amine

C10H22N2O — CID 57010642

IUPACN-hexylmorpholin-4-amine
SMILESCCCCCCNN1CCOCC1
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-6-11-12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyLPZRCETUHQQUOR-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.40
Rot. Bonds6

About N-hexylmorpholin-4-amine

N-hexylmorpholin-4-amine (PubChem CID 57010642) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-hexylmorpholin-4-amine.

Molecular Properties

Compound NameN-hexylmorpholin-4-amine
PubChem CID57010642
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-hexylmorpholin-4-amine
SMILESCCCCCCNN1CCOCC1
InChIInChI=1S/C10H22N2O/c1-2-3-4-5-6-11-12-7-9-13-10-8-12/h11H,2-10H2,1H3
InChIKeyLPZRCETUHQQUOR-UHFFFAOYSA-N
XLogP1.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexylmorpholin-4-amine?
The IUPAC name of N-hexylmorpholin-4-amine (CID 57010642) is N-hexylmorpholin-4-amine.
What is the SMILES notation for N-hexylmorpholin-4-amine?
The canonical SMILES for N-hexylmorpholin-4-amine is CCCCCCNN1CCOCC1.
What is the InChIKey of N-hexylmorpholin-4-amine?
The InChIKey is LPZRCETUHQQUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-4-5-6-11-12-7-9-13-10-8-12/h11H,2-10H2,1H3.
What are the key properties of N-hexylmorpholin-4-amine?
N-hexylmorpholin-4-amine has a molecular weight of 186.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylmorpholin-4-amine is sourced from PubChem (CID 57010642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).