N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine

C13H24N4O — CID 119123822

IUPACN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(NCc1cncn1C)C(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-11(12(2)17-4-6-18-7-5-17)15-9-13-8-14-10-16(13)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyTZVCTZRHOJSOLQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.62
Rot. Bonds5

About N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine

N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine (PubChem CID 119123822) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
PubChem CID119123822
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine
SMILESCC(NCc1cncn1C)C(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-11(12(2)17-4-6-18-7-5-17)15-9-13-8-14-10-16(13)3/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyTZVCTZRHOJSOLQ-UHFFFAOYSA-N
XLogP0.62
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine (CID 119123822) is N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine is CC(NCc1cncn1C)C(C)N1CCOCC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
The InChIKey is TZVCTZRHOJSOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(12(2)17-4-6-18-7-5-17)15-9-13-8-14-10-16(13)3/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine?
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 119123822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).