1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

C16H28N4O — CID 119109776

IUPAC1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCn1cncc1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-19-14-18-12-15(19)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,14,17H,2-11,13H2,1H3
InChIKeyGMGCAMXQGCNRJW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.54
Rot. Bonds5

About 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (PubChem CID 119109776) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
PubChem CID119109776
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCn1cncc1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-19-14-18-12-15(19)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,14,17H,2-11,13H2,1H3
InChIKeyGMGCAMXQGCNRJW-UHFFFAOYSA-N
XLogP1.54
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (CID 119109776) is 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is Cn1cncc1CNCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The InChIKey is GMGCAMXQGCNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19-14-18-12-15(19)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,14,17H,2-11,13H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 119109776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).