N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine

C12H23N3 — CID 11904836

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C12H23N3/c1-14-4-6-15(7-5-14)13-12-9-10-2-3-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyNMEBZMUZKICSKO-QJPTWQEYSA-N
MW209.34 g/mol
LogP0.93
Rot. Bonds2

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

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine (PubChem CID 11904836) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine
PubChem CID11904836
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine
SMILESCN1CCN(N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1
InChIInChI=1S/C12H23N3/c1-14-4-6-15(7-5-14)13-12-9-10-2-3-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11+,12+/m0/s1
InChIKeyNMEBZMUZKICSKO-QJPTWQEYSA-N
XLogP0.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine (CID 11904836) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine is CN1CCN(N[C@@H]2C[C@H]3CC[C@@H]2C3)CC1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine?
The InChIKey is NMEBZMUZKICSKO-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-4-6-15(7-5-14)13-12-9-10-2-3-11(12)8-10/h10-13H,2-9H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine has a molecular weight of 209.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 11904836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).