2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide

C11H24N4O — CID 77028625

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCCC(NCC1CCN(CC)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-6-15(4-2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyFZOYTYBHHISNLX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.44
Rot. Bonds6

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide

2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide (PubChem CID 77028625) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
PubChem CID77028625
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCCC(NCC1CCN(CC)C1)C(N)=NO
InChIInChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-6-15(4-2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyFZOYTYBHHISNLX-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032015
1-cyclopropyl-N-[(1-ethylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64920141
N-[(1-ethylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60857491
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
N'-hydroxy-2-(oxan-2-ylmethylamino)butanimidamide
CID 77030636
(2S)-5-amino-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 61205667
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N'-hydroxypropanimidamide
CID 77027010
1-[(2S)-butan-2-yl]-2-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]guanidine
CID 95143617
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684
1-(cyclopropylmethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylguanidine
CID 111867320
N'-hydroxy-2-[(1-methylpiperidin-4-yl)amino]butanimidamide
CID 77028374

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide (CID 77028625) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide is CCC(NCC1CCN(CC)C1)C(N)=NO.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
The InChIKey is FZOYTYBHHISNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-10(11(12)14-16)13-7-9-5-6-15(4-2)8-9/h9-10,13,16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide?
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77028625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).