5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide

C15H32N4 — CID 65258683

IUPAC5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C15H32N4/c1-5-19(6-2)13-8-11-18(12-13)10-7-9-15(3,4)14(16)17/h13H,5-12H2,1-4H3,(H3,16,17)
InChIKeyFMUICAFOBKXHIX-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.14
Rot. Bonds8

About 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide

5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 65258683) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID65258683
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCC(N(CC)CC)C1
InChIInChI=1S/C15H32N4/c1-5-19(6-2)13-8-11-18(12-13)10-7-9-15(3,4)14(16)17/h13H,5-12H2,1-4H3,(H3,16,17)
InChIKeyFMUICAFOBKXHIX-UHFFFAOYSA-N
XLogP2.14
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.14
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

5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912
5-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide
CID 112625805
2-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165258
1-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-2-methylpentan-2-ol
CID 64820510
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentanimidamide
CID 65258381
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
5-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65257995
5-(4-tert-butylazepan-1-yl)-2,2-dimethylpentanimidamide
CID 65258244
2,2-dimethyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentanimidamide
CID 65258334
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989

Frequently Asked Questions

What is the IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide (CID 65258683) is 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCC(N(CC)CC)C1.
What is the InChIKey of 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is FMUICAFOBKXHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-5-19(6-2)13-8-11-18(12-13)10-7-9-15(3,4)14(16)17/h13H,5-12H2,1-4H3,(H3,16,17).
What are the key properties of 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide?
5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 268.45 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)pyrrolidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).