2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine

C6H13N3 — CID 44571829

IUPAC2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine
SMILESCC1=NC[C@H](CCN)N1
InChIInChI=1S/C6H13N3/c1-5-8-4-6(9-5)2-3-7/h6H,2-4,7H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyPZLRTDPWECBARE-LURJTMIESA-N
MW127.19 g/mol
LogP-0.27
Rot. Bonds2

About 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine

2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine (PubChem CID 44571829) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine
PubChem CID44571829
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine
SMILESCC1=NC[C@H](CCN)N1
InChIInChI=1S/C6H13N3/c1-5-8-4-6(9-5)2-3-7/h6H,2-4,7H2,1H3,(H,8,9)/t6-/m0/s1
InChIKeyPZLRTDPWECBARE-LURJTMIESA-N
XLogP-0.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine (CID 44571829) is 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine is CC1=NC[C@H](CCN)N1.
What is the InChIKey of 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine?
The InChIKey is PZLRTDPWECBARE-LURJTMIESA-N. The full InChI is InChI=1S/C6H13N3/c1-5-8-4-6(9-5)2-3-7/h6H,2-4,7H2,1H3,(H,8,9)/t6-/m0/s1.
What are the key properties of 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine?
2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine has a molecular weight of 127.19 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 44571829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).