N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine

C16H25N5 — CID 106565971

IUPACN-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
SMILESc1cn(CCCCn2ccnc2NC2CCCCC2)cn1
InChIInChI=1S/C16H25N5/c1-2-6-15(7-3-1)19-16-18-9-13-21(16)11-5-4-10-20-12-8-17-14-20/h8-9,12-15H,1-7,10-11H2,(H,18,19)
InChIKeySUTYIVVVQFDULE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.30
Rot. Bonds7

About N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine

N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine (PubChem CID 106565971) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
PubChem CID106565971
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
SMILESc1cn(CCCCn2ccnc2NC2CCCCC2)cn1
InChIInChI=1S/C16H25N5/c1-2-6-15(7-3-1)19-16-18-9-13-21(16)11-5-4-10-20-12-8-17-14-20/h8-9,12-15H,1-7,10-11H2,(H,18,19)
InChIKeySUTYIVVVQFDULE-UHFFFAOYSA-N
XLogP3.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
N-cyclohexyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577191
N-cyclopentyl-1-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-2-amine
CID 106581877
N-cyclopropyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557493
N-cyclohexyl-1-(2,2-dimethylpropyl)imidazol-2-amine
CID 106563673
N-cyclohexyl-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574374
1-cyclohexyl-N-(2-imidazol-1-ylethyl)imidazol-2-amine
CID 106569297
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550
N-cyclopentyl-1-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554398
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine (CID 106565971) is N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine is c1cn(CCCCn2ccnc2NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine?
The InChIKey is SUTYIVVVQFDULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-6-15(7-3-1)19-16-18-9-13-21(16)11-5-4-10-20-12-8-17-14-20/h8-9,12-15H,1-7,10-11H2,(H,18,19).
What are the key properties of N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine?
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine is sourced from PubChem (CID 106565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).