N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide

C14H24N4O — CID 107973411

IUPACN-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)14(19)13-9-17(2)10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyHIUBHJPMZIIWCV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.54
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide

N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide (PubChem CID 107973411) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
PubChem CID107973411
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(C)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)14(19)13-9-17(2)10-16-13/h9-12H,3-8,15H2,1-2H3
InChIKeyHIUBHJPMZIIWCV-UHFFFAOYSA-N
XLogP1.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide (CID 107973411) is N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide is CCCN(C(=O)c1cn(C)cn1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide?
The InChIKey is HIUBHJPMZIIWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-8-18(12-6-4-11(15)5-7-12)14(19)13-9-17(2)10-16-13/h9-12H,3-8,15H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide?
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide is sourced from PubChem (CID 107973411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).