N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine

C11H19N3 — CID 12647300

IUPACN-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine
SMILESc1ncc(CCNC2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)
InChIKeyOKJFYIHINPOKMF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.87
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine

N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine (PubChem CID 12647300) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine
PubChem CID12647300
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine
SMILESc1ncc(CCNC2CCCCC2)[nH]1
InChIInChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14)
InChIKeyOKJFYIHINPOKMF-UHFFFAOYSA-N
XLogP1.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
Burimamide
CID 3032915
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168
2-Methylhistamine
CID 91613
alpha-methylhistamine, (R)-
CID 156615

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine (CID 12647300) is N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine is c1ncc(CCNC2CCCCC2)[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine?
The InChIKey is OKJFYIHINPOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-4-10(5-3-1)13-7-6-11-8-12-9-14-11/h8-10,13H,1-7H2,(H,12,14).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine?
N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine has a molecular weight of 193.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 12647300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).