N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine

C17H31N3 — CID 10946943

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCC1CN=C(NCCC2=CCCCC2)N1
InChIInChI=1S/C17H31N3/c1-2-3-4-8-11-16-14-19-17(20-16)18-13-12-15-9-6-5-7-10-15/h9,16H,2-8,10-14H2,1H3,(H2,18,19,20)
InChIKeyJNDABFOZTIVJFV-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.76
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10946943) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10946943
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCC1CN=C(NCCC2=CCCCC2)N1
InChIInChI=1S/C17H31N3/c1-2-3-4-8-11-16-14-19-17(20-16)18-13-12-15-9-6-5-7-10-15/h9,16H,2-8,10-14H2,1H3,(H2,18,19,20)
InChIKeyJNDABFOZTIVJFV-UHFFFAOYSA-N
XLogP3.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-methylguanidine
CID 95908016
3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
N-[2-(cyclopenten-1-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378512
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111209106
2-[2-(Cyclohexen-1-yl)ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111209108
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111836151
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-(5,5,5-trifluoropentyl)guanidine
CID 112433689
5-octadec-9-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 57079103
5-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 67857825
5-[(3-methylcyclohex-2-en-1-yl)methyl]-4,5-dihydro-1H-imidazole
CID 68014673
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
CID 121451192
1-Cyclohex-2-en-1-yl-3-heptan-2-yl-2-prop-2-enylguanidine
CID 143398987

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine (CID 10946943) is N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine is CCCCCCC1CN=C(NCCC2=CCCCC2)N1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JNDABFOZTIVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-3-4-8-11-16-14-19-17(20-16)18-13-12-15-9-6-5-7-10-15/h9,16H,2-8,10-14H2,1H3,(H2,18,19,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-hexyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10946943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).