N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C12H19N3 — CID 65232015

IUPACN-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ncc(CCNC2CC3CCC2C3)[nH]1
InChIInChI=1S/C12H19N3/c1-2-10-5-9(1)6-12(10)14-4-3-11-7-13-8-15-11/h7-10,12,14H,1-6H2,(H,13,15)
InChIKeyMYEJSUMEZZXEQY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.73
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 65232015) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID65232015
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESc1ncc(CCNC2CC3CCC2C3)[nH]1
InChIInChI=1S/C12H19N3/c1-2-10-5-9(1)6-12(10)14-4-3-11-7-13-8-15-11/h7-10,12,14H,1-6H2,(H,13,15)
InChIKeyMYEJSUMEZZXEQY-UHFFFAOYSA-N
XLogP1.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65232162
(1S,4R)-N-(2-phenylethyl)bicyclo[2.2.1]heptan-2-amine
CID 59101629
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
N-[2-(cyclohexen-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61308957
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658816
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
N-[2-(1H-imidazol-5-yl)ethyl]-2-propyloxan-4-amine
CID 65230541
N-[2-(1H-imidazol-5-yl)ethyl]-1-pyridin-4-ylpiperidin-4-amine
CID 65231968
N-[2-(3-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309344
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 65232015) is N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is c1ncc(CCNC2CC3CCC2C3)[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is MYEJSUMEZZXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-10-5-9(1)6-12(10)14-4-3-11-7-13-8-15-11/h7-10,12,14H,1-6H2,(H,13,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.73, 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]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 65232015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).