4-(2-methylpyrrolidin-1-yl)butanimidamide

C9H19N3 — CID 60974851

IUPAC4-(2-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC1C
InChIInChI=1S/C9H19N3/c1-8-4-2-6-12(8)7-3-5-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyWBWCYUOOVQXLPA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.19
Rot. Bonds4

About 4-(2-methylpyrrolidin-1-yl)butanimidamide

4-(2-methylpyrrolidin-1-yl)butanimidamide (PubChem CID 60974851) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)butanimidamide
PubChem CID60974851
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-(2-methylpyrrolidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CCCN1CCCC1C
InChIInChI=1S/C9H19N3/c1-8-4-2-6-12(8)7-3-5-9(10)11/h8H,2-7H2,1H3,(H3,10,11)
InChIKeyWBWCYUOOVQXLPA-UHFFFAOYSA-N
XLogP1.19
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
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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Related Compounds

3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
N'-hydroxy-5-(2-methylpiperidin-1-yl)pentanimidamide
CID 109374519
4-(4-ethyl-3-methylpiperazin-1-yl)butanimidamide
CID 63608845
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
1-(3-bromopropyl)-2-methylpyrrolidine;hydrobromide
CID 77189705
N'-[4-(2-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111060130
O-[3-(2-methylpiperidin-1-yl)propyl]hydroxylamine
CID 55270241
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanimidamide
CID 82750382
1,1-diethyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060073
9-(2-methylpyrrolidin-1-yl)nonane-1-thiol
CID 105343993

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)butanimidamide?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)butanimidamide (CID 60974851) is 4-(2-methylpyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)butanimidamide?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)butanimidamide is [H]/N=C(\N)CCCN1CCCC1C.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)butanimidamide?
The InChIKey is WBWCYUOOVQXLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-8-4-2-6-12(8)7-3-5-9(10)11/h8H,2-7H2,1H3,(H3,10,11).
What are the key properties of 4-(2-methylpyrrolidin-1-yl)butanimidamide?
4-(2-methylpyrrolidin-1-yl)butanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 60974851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).