1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine

C14H21N5 — CID 106569297

IUPAC1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
SMILESc1cn(CCNc2nccn2C2CCCCC2)cn1
InChIInChI=1S/C14H21N5/c1-2-4-13(5-3-1)19-11-8-17-14(19)16-7-10-18-9-6-15-12-18/h6,8-9,11-13H,1-5,7,10H2,(H,16,17)
InChIKeyYKBQDZJAHUGGSS-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.70
Rot. Bonds5

About 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine

1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine (PubChem CID 106569297) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
PubChem CID106569297
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
SMILESc1cn(CCNc2nccn2C2CCCCC2)cn1
InChIInChI=1S/C14H21N5/c1-2-4-13(5-3-1)19-11-8-17-14(19)16-7-10-18-9-6-15-12-18/h6,8-9,11-13H,1-5,7,10H2,(H,16,17)
InChIKeyYKBQDZJAHUGGSS-UHFFFAOYSA-N
XLogP2.70
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565073
1-cyclohexyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575828
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-cyclopentyl-N-(4,4,4-trifluorobutyl)imidazol-2-amine
CID 106579149
1-cyclopentyl-N-(2-methylsulfonylethyl)imidazol-2-amine
CID 106563475
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106579096
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-cyclopentyl-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574332
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
1-cyclohexyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567551

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine (CID 106569297) is 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine is c1cn(CCNc2nccn2C2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine?
The InChIKey is YKBQDZJAHUGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-2-4-13(5-3-1)19-11-8-17-14(19)16-7-10-18-9-6-15-12-18/h6,8-9,11-13H,1-5,7,10H2,(H,16,17).
What are the key properties of 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine?
1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine has a molecular weight of 259.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106569297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).