N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine

C8H16N4 — CID 59568947

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCN1CC[C@@H](NC2=NCCN2)C1
InChIInChI=1S/C8H16N4/c1-12-5-2-7(6-12)11-8-9-3-4-10-8/h7H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyKLPIZQDPTKMSAA-SSDOTTSWSA-N
MW168.24 g/mol
LogP-0.76
Rot. Bonds1

About N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine

N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 59568947) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID59568947
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCN1CC[C@@H](NC2=NCCN2)C1
InChIInChI=1S/C8H16N4/c1-12-5-2-7(6-12)11-8-9-3-4-10-8/h7H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1
InChIKeyKLPIZQDPTKMSAA-SSDOTTSWSA-N
XLogP-0.76
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine (CID 59568947) is N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine is CN1CC[C@@H](NC2=NCCN2)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KLPIZQDPTKMSAA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N4/c1-12-5-2-7(6-12)11-8-9-3-4-10-8/h7H,2-6H2,1H3,(H2,9,10,11)/t7-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 168.24 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 59568947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).