N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C13H22N4 — CID 105364456

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCn1ccnc1CCNC1CCN2CCC1C2
InChIInChI=1S/C13H22N4/c1-16-9-6-15-13(16)2-5-14-12-4-8-17-7-3-11(12)10-17/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyGZKIVMVTXPSLQM-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.65
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364456) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364456
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCn1ccnc1CCNC1CCN2CCC1C2
InChIInChI=1S/C13H22N4/c1-16-9-6-15-13(16)2-5-14-12-4-8-17-7-3-11(12)10-17/h6,9,11-12,14H,2-5,7-8,10H2,1H3
InChIKeyGZKIVMVTXPSLQM-UHFFFAOYSA-N
XLogP0.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114527587
1,2,5-trimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 61212215
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 63923427

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364456) is N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is Cn1ccnc1CCNC1CCN2CCC1C2.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is GZKIVMVTXPSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-9-6-15-13(16)2-5-14-12-4-8-17-7-3-11(12)10-17/h6,9,11-12,14H,2-5,7-8,10H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 234.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).