N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide

C13H29N5O — CID 104882593

IUPACN-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C13H29N5O/c1-4-19-10-6-8-15-13(16-14)18-9-5-7-12(18)11-17(2)3/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeySVEGOHXGVJNQIO-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.26
Rot. Bonds7

About N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide

N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide (PubChem CID 104882593) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide
PubChem CID104882593
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC NameN-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide
SMILESCCOCCC/N=C(\NN)N1CCCC1CN(C)C
InChIInChI=1S/C13H29N5O/c1-4-19-10-6-8-15-13(16-14)18-9-5-7-12(18)11-17(2)3/h12H,4-11,14H2,1-3H3,(H,15,16)
InChIKeySVEGOHXGVJNQIO-UHFFFAOYSA-N
XLogP0.26
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-Amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(3-methoxypropyl)guanidine
CID 103192660
3-Amino-1-[1-(dimethylamino)propan-2-yl]-2-(3-ethoxypropyl)-1-ethylguanidine
CID 103192669
N-amino-2-[(dimethylamino)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 104881911
3-Amino-1,2-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 104882350
3-Amino-1-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-dimethylguanidine
CID 104882353
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-3-yl)guanidine
CID 104882510
1-Amino-2-(3-ethoxypropyl)-3-(2-pyrrolidin-1-ylethyl)guanidine
CID 104882529
N-amino-4-butan-2-yl-N'-(3-ethoxypropyl)piperazine-1-carboximidamide
CID 104882575
N-amino-N'-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboximidamide
CID 104882592
N-amino-2-[(dimethylamino)methyl]-N'-ethylpyrrolidine-1-carboximidamide
CID 104882594
N-amino-2-[(dimethylamino)methyl]-N'-propylpyrrolidine-1-carboximidamide
CID 104882595
N-amino-2-[(dimethylamino)methyl]-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 104882597

Frequently Asked Questions

What is the IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide (CID 104882593) is N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide is CCOCCC/N=C(\NN)N1CCCC1CN(C)C.
What is the InChIKey of N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide?
The InChIKey is SVEGOHXGVJNQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-4-19-10-6-8-15-13(16-14)18-9-5-7-12(18)11-17(2)3/h12H,4-11,14H2,1-3H3,(H,15,16).
What are the key properties of N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide?
N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide has a molecular weight of 271.41 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).