N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine

C9H20N4O — CID 143826190

IUPACN-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine
SMILES[H]/N=C(\C)N(C)CC1CC(O)CN1.[H]N=C
InChIInChI=1S/C8H17N3O.CH3N/c1-6(9)11(2)5-7-3-8(12)4-10-7;1-2/h7-10,12H,3-5H2,1-2H3;2H,1H2/b9-6+;
InChIKeyHKVBAWWCVNANEI-MLBSPLJJSA-N
MW200.29 g/mol
LogP-0.10
Rot. Bonds2

About N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine

N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine (PubChem CID 143826190) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine
PubChem CID143826190
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine
SMILES[H]/N=C(\C)N(C)CC1CC(O)CN1.[H]N=C
InChIInChI=1S/C8H17N3O.CH3N/c1-6(9)11(2)5-7-3-8(12)4-10-7;1-2/h7-10,12H,3-5H2,1-2H3;2H,1H2/b9-6+;
InChIKeyHKVBAWWCVNANEI-MLBSPLJJSA-N
XLogP-0.10
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine?
The IUPAC name of N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine (CID 143826190) is N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine?
The canonical SMILES for N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine is [H]/N=C(\C)N(C)CC1CC(O)CN1.[H]N=C.
What is the InChIKey of N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine?
The InChIKey is HKVBAWWCVNANEI-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H17N3O.CH3N/c1-6(9)11(2)5-7-3-8(12)4-10-7;1-2/h7-10,12H,3-5H2,1-2H3;2H,1H2/b9-6+;.
What are the key properties of N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine?
N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine has a molecular weight of 200.29 g/mol, XLogP of -0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-2-yl)methyl]-N-methylethanimidamide;methanimine is sourced from PubChem (CID 143826190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).