N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C12H22N4O — CID 62748321

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1[nH]cnc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-11-12(15-10-14-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyGNFCMBYKGQOGJU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.53
Rot. Bonds6

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 62748321) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID62748321
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1[nH]cnc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-11-12(15-10-14-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyGNFCMBYKGQOGJU-UHFFFAOYSA-N
XLogP0.53
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 62748321) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1[nH]cnc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is GNFCMBYKGQOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-12(15-10-14-11)9-13-3-2-4-16-5-7-17-8-6-16/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62748321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).