N-heptan-2-ylmorpholin-4-amine

C11H24N2O — CID 83010857

IUPACN-heptan-2-ylmorpholin-4-amine
SMILESCCCCCC(C)NN1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-4-5-6-11(2)12-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeySQGHVPYGEFEUOP-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.79
Rot. Bonds6

About N-heptan-2-ylmorpholin-4-amine

N-heptan-2-ylmorpholin-4-amine (PubChem CID 83010857) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-heptan-2-ylmorpholin-4-amine.

Molecular Properties

Compound NameN-heptan-2-ylmorpholin-4-amine
PubChem CID83010857
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-heptan-2-ylmorpholin-4-amine
SMILESCCCCCC(C)NN1CCOCC1
InChIInChI=1S/C11H24N2O/c1-3-4-5-6-11(2)12-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3
InChIKeySQGHVPYGEFEUOP-UHFFFAOYSA-N
XLogP1.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.79
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-heptan-2-ylmorpholin-4-amine?
The IUPAC name of N-heptan-2-ylmorpholin-4-amine (CID 83010857) is N-heptan-2-ylmorpholin-4-amine.
What is the SMILES notation for N-heptan-2-ylmorpholin-4-amine?
The canonical SMILES for N-heptan-2-ylmorpholin-4-amine is CCCCCC(C)NN1CCOCC1.
What is the InChIKey of N-heptan-2-ylmorpholin-4-amine?
The InChIKey is SQGHVPYGEFEUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-4-5-6-11(2)12-13-7-9-14-10-8-13/h11-12H,3-10H2,1-2H3.
What are the key properties of N-heptan-2-ylmorpholin-4-amine?
N-heptan-2-ylmorpholin-4-amine has a molecular weight of 200.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-ylmorpholin-4-amine is sourced from PubChem (CID 83010857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).