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

C13H27N5O — CID 104887119

IUPACN-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H27N5O/c1-17(2)8-11-7-12(19)9-18(11)13(16-14)15-10-5-3-4-6-10/h10-12,19H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyTZVUCGXFPKZQPZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.25
Rot. Bonds3

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

N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (PubChem CID 104887119) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
PubChem CID104887119
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1/C(=N/C1CCCC1)NN
InChIInChI=1S/C13H27N5O/c1-17(2)8-11-7-12(19)9-18(11)13(16-14)15-10-5-3-4-6-10/h10-12,19H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyTZVUCGXFPKZQPZ-UHFFFAOYSA-N
XLogP-0.25
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.25
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

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-hydroxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 66053575
2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 66053576
N-amino-N'-cyclopentyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542273
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
N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)-4-hydroxypyrrolidine-1-carboximidamide
CID 104887114

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (CID 104887119) is N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide is CN(C)CC1CC(O)CN1/C(=N/C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is TZVUCGXFPKZQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-17(2)8-11-7-12(19)9-18(11)13(16-14)15-10-5-3-4-6-10/h10-12,19H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 269.39 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 104887119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).