2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide

C10H22N4O — CID 66054629

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H22N4O/c1-7(10(11)12)14-6-9(15)4-8(14)5-13(2)3/h7-9,15H,4-6H2,1-3H3,(H3,11,12)
InChIKeyVKSWLDUJDZYWKP-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.69
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide (PubChem CID 66054629) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide
PubChem CID66054629
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H22N4O/c1-7(10(11)12)14-6-9(15)4-8(14)5-13(2)3/h7-9,15H,4-6H2,1-3H3,(H3,11,12)
InChIKeyVKSWLDUJDZYWKP-UHFFFAOYSA-N
XLogP-0.69
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide (CID 66054629) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide is [H]/N=C(\N)C(C)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide?
The InChIKey is VKSWLDUJDZYWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-7(10(11)12)14-6-9(15)4-8(14)5-13(2)3/h7-9,15H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide has a molecular weight of 214.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propanimidamide is sourced from PubChem (CID 66054629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).