N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide

C10H23N5O — CID 104887115

IUPACN-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H23N5O/c1-4-12-10(13-11)15-7-9(16)5-8(15)6-14(2)3/h8-9,16H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyFHXWBSSBSLAWPN-UHFFFAOYSA-N
MW229.33 g/mol
LogP-1.18
Rot. Bonds3

About N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide

N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide (PubChem CID 104887115) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
PubChem CID104887115
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC NameN-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CC(O)CC1CN(C)C
InChIInChI=1S/C10H23N5O/c1-4-12-10(13-11)15-7-9(16)5-8(15)6-14(2)3/h8-9,16H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyFHXWBSSBSLAWPN-UHFFFAOYSA-N
XLogP-1.18
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-1.18
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

(2S)-N-amino-2-(hydroxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 142498001
2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 66053189
N'-tert-butyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053190
2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 66053382
2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 66053383
N'-cyclopropyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053384
2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 66053385
2-[(dimethylamino)methyl]-4-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 66053576
N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 104881894
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 104882320
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide (CID 104887115) is N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide is CC/N=C(\NN)N1CC(O)CC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is FHXWBSSBSLAWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5O/c1-4-12-10(13-11)15-7-9(16)5-8(15)6-14(2)3/h8-9,16H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 229.33 g/mol, XLogP of -1.18, 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]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 104887115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).