N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide

C11H22N4 — CID 59878537

IUPACN,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
SMILESC/N=C(\NC)N1CC=C(CC(C)NC)C1
InChIInChI=1S/C11H22N4/c1-9(12-2)7-10-5-6-15(8-10)11(13-3)14-4/h5,9,12H,6-8H2,1-4H3,(H,13,14)
InChIKeyQGUUNFMDDSWKTN-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.43
Rot. Bonds3

About N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide

N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide (PubChem CID 59878537) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
PubChem CID59878537
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide
SMILESC/N=C(\NC)N1CC=C(CC(C)NC)C1
InChIInChI=1S/C11H22N4/c1-9(12-2)7-10-5-6-15(8-10)11(13-3)14-4/h5,9,12H,6-8H2,1-4H3,(H,13,14)
InChIKeyQGUUNFMDDSWKTN-UHFFFAOYSA-N
XLogP0.43
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

1-(5-Aminopentyl)-3-(4-methylpent-3-en-1-yl)guanidine
CID 129661483
N-[C-[3-(2-aminopropyl)-2,5-dihydropyrrol-1-yl]-N-methylcarbonimidoyl]formamide
CID 59878511
N-[N-methyl-C-[3-[2-(methylamino)propyl]-2,5-dihydropyrrol-1-yl]carbonimidoyl]formamide
CID 59878558
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[(2R)-6-methylhept-5-en-2-yl]butane-1,4-diamine
CID 121451192
1,1,2-Trimethyl-3-(3-methylpent-3-en-2-yl)guanidine
CID 123410965
(2E)-2-[(2Z)-2-ethylidene-5-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]cyclopentylidene]-N-methylacetonitrilium
CID 147981646
(5R)-5-[(3Z,5Z)-3,5-dimethylhepta-1,3,5-trien-2-yl]-4,5-dihydro-1H-imidazol-2-amine
CID 156346170
4-N-[(4R,5Z,8S)-8-ethenyl-1,4,7,8-tetrahydro-1,3-diazocin-4-yl]hexane-1,4-diamine
CID 173575582
2-Butyl-1-cyclopent-3-en-1-yl-3-ethylguanidine
CID 99714111
1-Cyclopent-3-en-1-yl-3-ethyl-2-(2-methylpropyl)guanidine
CID 99850634
1-[2-(Cyclopenten-1-yl)ethyl]-2-methylguanidine
CID 103842901
1-[2-(Cyclopenten-1-yl)ethyl]-2-propylguanidine
CID 103842915

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide?
The IUPAC name of N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide (CID 59878537) is N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide.
What is the SMILES notation for N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide?
The canonical SMILES for N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide is C/N=C(\NC)N1CC=C(CC(C)NC)C1.
What is the InChIKey of N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide?
The InChIKey is QGUUNFMDDSWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(12-2)7-10-5-6-15(8-10)11(13-3)14-4/h5,9,12H,6-8H2,1-4H3,(H,13,14).
What are the key properties of N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide?
N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide has a molecular weight of 210.32 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-3-[2-(methylamino)propyl]-2,5-dihydropyrrole-1-carboximidamide is sourced from PubChem (CID 59878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).