3-(2-Methylpropyl)pyrrolidine-1-carboximidamide

C9H19N3 — CID 21018803

IUPAC3-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)CC1CCN(C1)C(=N)N
InChIInChI=1S/C9H19N3/c1-7(2)5-8-3-4-12(6-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyAIYUUTHPKNGDGI-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.30
Rot. Bonds3

About 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide

3-(2-Methylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 21018803) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2-Methylpropyl)pyrrolidine-1-carboximidamide
PubChem CID21018803
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-(2-methylpropyl)pyrrolidine-1-carboximidamide
SMILESCC(C)CC1CCN(C1)C(=N)N
InChIInChI=1S/C9H19N3/c1-7(2)5-8-3-4-12(6-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11)
InChIKeyAIYUUTHPKNGDGI-UHFFFAOYSA-N
XLogP1.30
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-Fluoropropyl)pyrrolidin-1-yl]methanimine
CID 145287464
1,1-Bis(2-ethylhexyl)guanidine
CID 20070093
N,N,3-trimethylpyrrolidine-1-carboximidamide
CID 20684890
1-(1-Carbamimidoylpyrrolidin-3-yl)propan-2-ylazanide
CID 21018795
2-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018800
2-Propan-2-ylpyrrolidine-1-carboximidamide
CID 21018801
3-Propan-2-ylpyrrolidine-1-carboximidamide
CID 21018804
3-(2-Aminoethyl)pyrrolidine-1-carboximidamide
CID 22257622
1-(2-Ethylhexyl)-1-methylguanidine
CID 23103981
3-Ethylpiperidine-1-carboximidamide
CID 43584617
4-Propylpiperidine-1-carboximidamide
CID 57171494
3-(2,2-Dimethylpropyl)pyrrolidine-1-carboximidamide
CID 57588642

Frequently Asked Questions

What is the IUPAC name of 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide (CID 21018803) is 3-(2-methylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide is CC(C)CC1CCN(C1)C(=N)N.
What is the InChIKey of 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is AIYUUTHPKNGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)5-8-3-4-12(6-8)9(10)11/h7-8H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide?
3-(2-Methylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Methylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 21018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).