2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol

C12H27N3O2 — CID 90719457

IUPAC2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol
SMILESCCC(C)C(N)C(O)NCCN1CCOCC1
InChIInChI=1S/C12H27N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyKBIYPRBRHBCZFG-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.40
Rot. Bonds7

About 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol

2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol (PubChem CID 90719457) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol.

Molecular Properties

Compound Name2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol
PubChem CID90719457
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol
SMILESCCC(C)C(N)C(O)NCCN1CCOCC1
InChIInChI=1S/C12H27N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-12,14,16H,3-9,13H2,1-2H3
InChIKeyKBIYPRBRHBCZFG-UHFFFAOYSA-N
XLogP-0.40
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol?
The IUPAC name of 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol (CID 90719457) is 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol.
What is the SMILES notation for 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol?
The canonical SMILES for 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol is CCC(C)C(N)C(O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol?
The InChIKey is KBIYPRBRHBCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15/h10-12,14,16H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol?
2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol has a molecular weight of 245.37 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-(2-morpholin-4-ylethylamino)pentan-1-ol is sourced from PubChem (CID 90719457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).