N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

C11H25N5O — CID 104887120

IUPACN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H25N5O/c1-8(2)13-11(14-12)16-7-10(17)5-9(16)6-15(3)4/h8-10,17H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyZIYUHAYBPOCUGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.79
Rot. Bonds3

About N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide

N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (PubChem CID 104887120) has the molecular formula C11H25N5O and a molecular weight of 243.35 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
PubChem CID104887120
Molecular FormulaC11H25N5O
Molecular Weight243.35 g/mol
Exact Mass243.21
IUPAC NameN-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
SMILESCC(C)/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C11H25N5O/c1-8(2)13-11(14-12)16-7-10(17)5-9(16)6-15(3)4/h8-10,17H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyZIYUHAYBPOCUGW-UHFFFAOYSA-N
XLogP-0.79
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056619
2-chloro-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 66056203
2-[(dimethylamino)methyl]-4-hydroxy-N-methylpyrrolidine-1-carbothioamide
CID 116509184
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butane-1,3-dione
CID 66057029
(2R)-2-amino-1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 113353519
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-methyl-3-oxopropanenitrile
CID 66054264
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanehydrazide
CID 66051201
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66055980
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]butanoic acid
CID 66052740

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide (CID 104887120) is N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is CC(C)/N=C(\NN)N1CC(O)CC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
The InChIKey is ZIYUHAYBPOCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N5O/c1-8(2)13-11(14-12)16-7-10(17)5-9(16)6-15(3)4/h8-10,17H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104887120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).