3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine

C15H25N5O3 — CID 18095444

IUPAC3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H25N5O3/c1-18-12-17-14(20(21)22)13(18)16-11-15(5-3-2-4-6-15)19-7-9-23-10-8-19/h12,16H,2-11H2,1H3
InChIKeyRRRHZGXLVHAMFW-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine

3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine (PubChem CID 18095444) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine
PubChem CID18095444
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine
SMILESCn1cnc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H25N5O3/c1-18-12-17-14(20(21)22)13(18)16-11-15(5-3-2-4-6-15)19-7-9-23-10-8-19/h12,16H,2-11H2,1H3
InChIKeyRRRHZGXLVHAMFW-UHFFFAOYSA-N
XLogP1.78
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine?
The IUPAC name of 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine (CID 18095444) is 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine.
What is the SMILES notation for 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine?
The canonical SMILES for 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine is Cn1cnc([N+](=O)[O-])c1NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine?
The InChIKey is RRRHZGXLVHAMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-18-12-17-14(20(21)22)13(18)16-11-15(5-3-2-4-6-15)19-7-9-23-10-8-19/h12,16H,2-11H2,1H3.
What are the key properties of 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine?
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine has a molecular weight of 323.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitroimidazol-4-amine is sourced from PubChem (CID 18095444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).