5-morpholin-4-yl-N-propan-2-ylpentan-1-amine

C12H26N2O — CID 59826132

IUPAC5-morpholin-4-yl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2)13-6-4-3-5-7-14-8-10-15-11-9-14/h12-13H,3-11H2,1-2H3
InChIKeyNCEPRJXQBHNGPQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds7

About 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine

5-morpholin-4-yl-N-propan-2-ylpentan-1-amine (PubChem CID 59826132) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-morpholin-4-yl-N-propan-2-ylpentan-1-amine
PubChem CID59826132
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-morpholin-4-yl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCN1CCOCC1
InChIInChI=1S/C12H26N2O/c1-12(2)13-6-4-3-5-7-14-8-10-15-11-9-14/h12-13H,3-11H2,1-2H3
InChIKeyNCEPRJXQBHNGPQ-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine (CID 59826132) is 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCN1CCOCC1.
What is the InChIKey of 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine?
The InChIKey is NCEPRJXQBHNGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)13-6-4-3-5-7-14-8-10-15-11-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine?
5-morpholin-4-yl-N-propan-2-ylpentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 59826132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).