3-Propylpyrrolidine-1-carboximidamide

C8H17N3 — CID 68188511

IUPAC3-propylpyrrolidine-1-carboximidamide
SMILESCCCC1CCN(C1)C(=N)N
InChIInChI=1S/C8H17N3/c1-2-3-7-4-5-11(6-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyJRVNLNUKOJUKSG-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.10
Rot. Bonds3

About 3-Propylpyrrolidine-1-carboximidamide

3-Propylpyrrolidine-1-carboximidamide (PubChem CID 68188511) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-Propylpyrrolidine-1-carboximidamide
PubChem CID68188511
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-propylpyrrolidine-1-carboximidamide
SMILESCCCC1CCN(C1)C(=N)N
InChIInChI=1S/C8H17N3/c1-2-3-7-4-5-11(6-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyJRVNLNUKOJUKSG-UHFFFAOYSA-N
XLogP1.10
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.10
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-(2-Methylpropyl)pyrrolidine-1-carboximidamide
CID 21018803
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

Frequently Asked Questions

What is the IUPAC name of 3-Propylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-Propylpyrrolidine-1-carboximidamide (CID 68188511) is 3-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-Propylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-Propylpyrrolidine-1-carboximidamide is CCCC1CCN(C1)C(=N)N.
What is the InChIKey of 3-Propylpyrrolidine-1-carboximidamide?
The InChIKey is JRVNLNUKOJUKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-3-7-4-5-11(6-7)8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-Propylpyrrolidine-1-carboximidamide?
3-Propylpyrrolidine-1-carboximidamide has a molecular weight of 155.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 68188511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).