N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine

C12H21N — CID 51723135

IUPACN-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
SMILESC(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CC1
InChIInChI=1S/C12H21N/c1-2-10-7-9(1)8-11(10)5-6-13-12-3-4-12/h9-13H,1-8H2/t9-,10+,11+/m0/s1
InChIKeyXFYFUEVXXCHEAM-HBNTYKKESA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds4

About N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine

N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine (PubChem CID 51723135) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
PubChem CID51723135
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
SMILESC(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CC1
InChIInChI=1S/C12H21N/c1-2-10-7-9(1)8-11(10)5-6-13-12-3-4-12/h9-13H,1-8H2/t9-,10+,11+/m0/s1
InChIKeyXFYFUEVXXCHEAM-HBNTYKKESA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine with MolForge

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Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
CID 63506248
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]oxan-3-amine
CID 115714189
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
CID 115882074
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
1-(2-bicyclo[2.2.1]heptanyl)-3-(cyclopropylamino)propan-2-ol
CID 79550906

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine (CID 51723135) is N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine is C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC1CC1.
What is the InChIKey of N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine?
The InChIKey is XFYFUEVXXCHEAM-HBNTYKKESA-N. The full InChI is InChI=1S/C12H21N/c1-2-10-7-9(1)8-11(10)5-6-13-12-3-4-12/h9-13H,1-8H2/t9-,10+,11+/m0/s1.
What are the key properties of N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine?
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine is sourced from PubChem (CID 51723135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).