(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine

C10H19N3 — CID 135258181

IUPAC(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine
SMILESC=C/N=C(\C)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C10H19N3/c1-5-11-9(2)13-7-6-10(8-13)12(3)4/h5,10H,1,6-8H2,2-4H3/b11-9+/t10-/m1/s1
InChIKeyKFNXTNMILSUPBN-OYVNLZQHSA-N
MW181.28 g/mol
LogP1.18
Rot. Bonds2

About (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine

(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 135258181) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID135258181
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine
SMILESC=C/N=C(\C)N1CC[C@@H](N(C)C)C1
InChIInChI=1S/C10H19N3/c1-5-11-9(2)13-7-6-10(8-13)12(3)4/h5,10H,1,6-8H2,2-4H3/b11-9+/t10-/m1/s1
InChIKeyKFNXTNMILSUPBN-OYVNLZQHSA-N
XLogP1.18
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine (CID 135258181) is (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine is C=C/N=C(\C)N1CC[C@@H](N(C)C)C1.
What is the InChIKey of (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is KFNXTNMILSUPBN-OYVNLZQHSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-11-9(2)13-7-6-10(8-13)12(3)4/h5,10H,1,6-8H2,2-4H3/b11-9+/t10-/m1/s1.
What are the key properties of (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine?
(3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(N-ethenyl-C-methylcarbonimidoyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 135258181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).