N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine

C11H17N3 — CID 107906738

IUPACN-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCn2ccnc2)CCC1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)13-7-9-14-8-6-12-10-14/h2,4,6,8,10-11,13H,1,3,5,7,9H2
InChIKeyGVKMEEUWRMMASV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine

N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine (PubChem CID 107906738) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
PubChem CID107906738
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCn2ccnc2)CCC1
InChIInChI=1S/C11H17N3/c1-2-4-11(5-3-1)13-7-9-14-8-6-12-10-14/h2,4,6,8,10-11,13H,1,3,5,7,9H2
InChIKeyGVKMEEUWRMMASV-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-cyclohex-2-en-1-yl]-3-(3-imidazol-1-ylpropyl)urea
CID 97084842
N-[2-(triazol-1-yl)ethyl]cyclohex-2-en-1-amine
CID 107907909
1-(cyclohex-2-en-1-ylmethyl)imidazole
CID 20574509
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
1-ethyl-N-(2-imidazol-1-ylethyl)piperidin-4-amine
CID 60664484
N-(2-imidazol-1-ylethyl)oxetan-3-amine
CID 63623289
cis-(1S,2R)-2-ethylsulfanyl-N-(2-imidazol-1-ylethyl)cyclohexan-1-amine
CID 99829754
4-(2-imidazol-1-ylethylamino)cyclohexane-1-carboxylic acid
CID 60810197
2-imidazol-1-ylethanol
CID 159023310
1-(cyclobutylmethyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 119151281
N-(2-imidazol-1-ylethyl)-1,2-dimethylpiperidin-4-amine
CID 81300344

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine (CID 107906738) is N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine is C1=CC(NCCn2ccnc2)CCC1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine?
The InChIKey is GVKMEEUWRMMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-4-11(5-3-1)13-7-9-14-8-6-12-10-14/h2,4,6,8,10-11,13H,1,3,5,7,9H2.
What are the key properties of N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine?
N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).