3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide

C11H24N4 — CID 63163878

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-4-9(7-11(12)13)15-6-5-10(8-15)14(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyZRXGSXRHNVRBBW-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.73
Rot. Bonds5

About 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide

3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide (PubChem CID 63163878) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
PubChem CID63163878
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(N(C)C)C1
InChIInChI=1S/C11H24N4/c1-4-9(7-11(12)13)15-6-5-10(8-15)14(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyZRXGSXRHNVRBBW-UHFFFAOYSA-N
XLogP0.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
CID 63170287
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
1-(1-aminopentan-3-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63166111
3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 62974857
3-(4-propylpiperazin-1-yl)pentanimidamide
CID 43368022
1-hexan-3-yl-N,N-dimethylpiperidin-3-amine
CID 143456781
3-(4-ethyl-4-methylpiperidin-1-yl)pentanimidamide
CID 63158707

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide (CID 63163878) is 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide?
The InChIKey is ZRXGSXRHNVRBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-9(7-11(12)13)15-6-5-10(8-15)14(2)3/h9-10H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide?
3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]pentanimidamide is sourced from PubChem (CID 63163878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).