3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine

C9H19N3 — CID 43121970

IUPAC3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
SMILES[H]/N=C1\CCCN1CCCN(C)C
InChIInChI=1S/C9H19N3/c1-11(2)6-4-8-12-7-3-5-9(12)10/h10H,3-8H2,1-2H3/b10-9+
InChIKeyGQFSEUROBYWIRB-MDZDMXLPSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds4

About 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine

3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 43121970) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID43121970
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
SMILES[H]/N=C1\CCCN1CCCN(C)C
InChIInChI=1S/C9H19N3/c1-11(2)6-4-8-12-7-3-5-9(12)10/h10H,3-8H2,1-2H3/b10-9+
InChIKeyGQFSEUROBYWIRB-MDZDMXLPSA-N
XLogP1.01
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine (CID 43121970) is 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine is [H]/N=C1\CCCN1CCCN(C)C.
What is the InChIKey of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is GQFSEUROBYWIRB-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H19N3/c1-11(2)6-4-8-12-7-3-5-9(12)10/h10H,3-8H2,1-2H3/b10-9+.
What are the key properties of 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine?
3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iminopyrrolidin-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 43121970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).