N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide

C11H23N5O — CID 143405365

IUPACN-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCCNC1=C(C(=O)NCCCN)NC(C)N1
InChIInChI=1S/C11H23N5O/c1-3-6-13-10-9(15-8(2)16-10)11(17)14-7-4-5-12/h8,13,15-16H,3-7,12H2,1-2H3,(H,14,17)
InChIKeyFVADVJCUSLXTHY-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.84
Rot. Bonds7

About N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide

N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide (PubChem CID 143405365) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide
PubChem CID143405365
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide
SMILESCCCNC1=C(C(=O)NCCCN)NC(C)N1
InChIInChI=1S/C11H23N5O/c1-3-6-13-10-9(15-8(2)16-10)11(17)14-7-4-5-12/h8,13,15-16H,3-7,12H2,1-2H3,(H,14,17)
InChIKeyFVADVJCUSLXTHY-UHFFFAOYSA-N
XLogP-0.84
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
6-Amino-1-(2-methylpropyl)-5-[(2-methylpropyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2366802
6-Amino-1-butyl-5-butylamino-1H-pyrimidine-2,4-dione
CID 2341171
6-Amino-1-methyl-5-(propylamino)pyrimidine-2,4(1H,3H)-dione
CID 14406894
6-Amino-5-(pentan-3-ylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2454147
1-(6-Amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9535413
N,2,5-trimethyl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 20684092
4-Amino-5-[2-(dimethylamino)ethylamino]-1,2-diethylpyrazol-3-one
CID 23104180
4-Amino-1,2-diethyl-5-(propan-2-ylamino)pyrazol-3-one
CID 23104198
4-Amino-1,2-diethyl-5-(ethylamino)pyrazol-3-one
CID 23104215

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide (CID 143405365) is N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide is CCCNC1=C(C(=O)NCCCN)NC(C)N1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide?
The InChIKey is FVADVJCUSLXTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-3-6-13-10-9(15-8(2)16-10)11(17)14-7-4-5-12/h8,13,15-16H,3-7,12H2,1-2H3,(H,14,17).
What are the key properties of N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide?
N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide has a molecular weight of 241.34 g/mol, XLogP of -0.84, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide is sourced from PubChem (CID 143405365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).