(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine

C7H16N2 — CID 59704389

IUPAC(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine
SMILES[CH2-][NH+]1CC[C@@](C)(NC)C1
InChIInChI=1S/C7H16N2/c1-7(8-2)4-5-9(3)6-7/h8-9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOECIPSYNVJSEMW-SSDOTTSWSA-N
MW128.22 g/mol
LogP-0.96
Rot. Bonds1

About (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine

(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine (PubChem CID 59704389) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine.

Molecular Properties

Compound Name(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine
PubChem CID59704389
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine
SMILES[CH2-][NH+]1CC[C@@](C)(NC)C1
InChIInChI=1S/C7H16N2/c1-7(8-2)4-5-9(3)6-7/h8-9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyOECIPSYNVJSEMW-SSDOTTSWSA-N
XLogP-0.96
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
2-methanidyl-2-azoniaspiro[4.4]nonane
CID 166016884
N,3-dimethyl-1-oxothietan-3-amine
CID 162358806
1-methyl-2-(1-methylcyclopropyl)hydrazine
CID 123432267
N,3-dimethylthietan-3-amine
CID 83478562
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736
CID 148922193
CID 148922193
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
acetonitrile;N,1-dimethylcyclohexan-1-amine;ethane
CID 142051471
N,3,9-trimethyl-3-azaspiro[5.5]undecan-9-amine
CID 91128574
N,3-dimethyl-1-oxothiolan-3-amine
CID 162359004
N,4-dimethyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115305084

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine?
The IUPAC name of (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine (CID 59704389) is (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine.
What is the SMILES notation for (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine?
The canonical SMILES for (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine is [CH2-][NH+]1CC[C@@](C)(NC)C1.
What is the InChIKey of (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine?
The InChIKey is OECIPSYNVJSEMW-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(8-2)4-5-9(3)6-7/h8-9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine?
(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine has a molecular weight of 128.22 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine is sourced from PubChem (CID 59704389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).