4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide

C14H26N4O3 — CID 81464935

IUPAC4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCOCC2)CC1N(C)C
InChIInChI=1S/C14H26N4O3/c1-10-8-18(9-11(10)17(2)3)13(19)14(12(15)16-20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyNTCKNJZPJWWRNJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.06
Rot. Bonds3

About 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide

4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide (PubChem CID 81464935) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
PubChem CID81464935
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCOCC2)CC1N(C)C
InChIInChI=1S/C14H26N4O3/c1-10-8-18(9-11(10)17(2)3)13(19)14(12(15)16-20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16)
InChIKeyNTCKNJZPJWWRNJ-UHFFFAOYSA-N
XLogP-0.06
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide
CID 76986956
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
N'-hydroxy-4-(4-methoxypiperidine-1-carbonyl)oxane-4-carboximidamide
CID 76919469
N'-hydroxy-4-(3-hydroxy-3-methylpiperidine-1-carbonyl)oxane-4-carboximidamide
CID 104876801
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 71927745
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76920417
N'-hydroxy-4-(3-methylmorpholine-4-carbonyl)oxane-4-carboximidamide
CID 76920695
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]oxane-4-carbothioamide
CID 104958745
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920789
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide?
The IUPAC name of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide (CID 81464935) is 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide is CC1CN(C(=O)C2(C(N)=NO)CCOCC2)CC1N(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide?
The InChIKey is NTCKNJZPJWWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10-8-18(9-11(10)17(2)3)13(19)14(12(15)16-20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide?
4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide has a molecular weight of 298.39 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxyoxane-4-carboximidamide is sourced from PubChem (CID 81464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).