N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine

C17H30N4 — CID 106565120

IUPACN-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC2CCCN(C)C2)c(NC2CCCCC2)n1
InChIInChI=1S/C17H30N4/c1-14-11-21(13-15-7-6-10-20(2)12-15)17(18-14)19-16-8-4-3-5-9-16/h11,15-16H,3-10,12-13H2,1-2H3,(H,18,19)
InChIKeyDJYPBRJXCBORNG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.28
Rot. Bonds4

About N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine

N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine (PubChem CID 106565120) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
PubChem CID106565120
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
SMILESCc1cn(CC2CCCN(C)C2)c(NC2CCCCC2)n1
InChIInChI=1S/C17H30N4/c1-14-11-21(13-15-7-6-10-20(2)12-15)17(18-14)19-16-8-4-3-5-9-16/h11,15-16H,3-10,12-13H2,1-2H3,(H,18,19)
InChIKeyDJYPBRJXCBORNG-UHFFFAOYSA-N
XLogP3.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine?
The IUPAC name of N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine (CID 106565120) is N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine is Cc1cn(CC2CCCN(C)C2)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine?
The InChIKey is DJYPBRJXCBORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-14-11-21(13-15-7-6-10-20(2)12-15)17(18-14)19-16-8-4-3-5-9-16/h11,15-16H,3-10,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine?
N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).