1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

C16H27N3O — CID 106557775

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3O/c1-12(15-11-13-4-5-14(15)10-13)19-8-7-18-16(19)17-6-3-9-20-2/h7-8,12-15H,3-6,9-11H2,1-2H3,(H,17,18)
InChIKeyINAWKXJHEFEUCF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.33
Rot. Bonds7

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106557775) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106557775
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H27N3O/c1-12(15-11-13-4-5-14(15)10-13)19-8-7-18-16(19)17-6-3-9-20-2/h7-8,12-15H,3-6,9-11H2,1-2H3,(H,17,18)
InChIKeyINAWKXJHEFEUCF-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106572492
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-amine
CID 106557738
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106566922
2-[1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 43148499
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106557775) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1C(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is INAWKXJHEFEUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(15-11-13-4-5-14(15)10-13)19-8-7-18-16(19)17-6-3-9-20-2/h7-8,12-15H,3-6,9-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106557775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).