N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide

C10H18N4O — CID 59878511

IUPACN-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
SMILESC/N=C(\NC=O)N1CC=C(CC(C)N)C1
InChIInChI=1S/C10H18N4O/c1-8(11)5-9-3-4-14(6-9)10(12-2)13-7-15/h3,7-8H,4-6,11H2,1-2H3,(H,12,13,15)
InChIKeyMZYZZGPQIFFAIF-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.30
Rot. Bonds3

About N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide

N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide (PubChem CID 59878511) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide.

Molecular Properties

Compound NameN-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
PubChem CID59878511
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
SMILESC/N=C(\NC=O)N1CC=C(CC(C)N)C1
InChIInChI=1S/C10H18N4O/c1-8(11)5-9-3-4-14(6-9)10(12-2)13-7-15/h3,7-8H,4-6,11H2,1-2H3,(H,12,13,15)
InChIKeyMZYZZGPQIFFAIF-UHFFFAOYSA-N
XLogP-0.30
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
CID 59878537
N-[C-[3-(2-aminoethyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
CID 59878542
N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide
CID 59878558

Frequently Asked Questions

What is the IUPAC name of N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide?
The IUPAC name of N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide (CID 59878511) is N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide.
What is the SMILES notation for N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide?
The canonical SMILES for N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide is C/N=C(\NC=O)N1CC=C(CC(C)N)C1.
What is the InChIKey of N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide?
The InChIKey is MZYZZGPQIFFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(11)5-9-3-4-14(6-9)10(12-2)13-7-15/h3,7-8H,4-6,11H2,1-2H3,(H,12,13,15).
What are the key properties of N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide?
N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide has a molecular weight of 210.28 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide is sourced from PubChem (CID 59878511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).