N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

C14H30N4 — CID 111739998

IUPACN-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)N(C)C)N1CCC(C)(C)C1
InChIInChI=1S/C14H30N4/c1-13(2)8-9-18(11-13)12(15-5)16-10-14(3,4)17(6)7/h8-11H2,1-7H3,(H,15,16)
InChIKeyQHTJYMXXBYJCHX-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.63
Rot. Bonds3

About N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111739998) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111739998
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC(C)(C)N(C)C)N1CCC(C)(C)C1
InChIInChI=1S/C14H30N4/c1-13(2)8-9-18(11-13)12(15-5)16-10-14(3,4)17(6)7/h8-11H2,1-7H3,(H,15,16)
InChIKeyQHTJYMXXBYJCHX-UHFFFAOYSA-N
XLogP1.63
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-Di-tert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 24746352
(2R,6R)-2,6-Di-tert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 101951798
(2S,6R)-2,6-ditert-butyl-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazole
CID 102170749
N',3,3-trimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 112032016
N',3,3-trimethyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]pyrrolidine-1-carboximidamide
CID 112032017
1-(3-Imidazolidin-1-yl-2,3-dimethylbutan-2-yl)-4,5-dihydroimidazole
CID 138525069
6-tert-butyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]imidazole;2-methylpropane
CID 145688955
N,5,5-trimethyl-1-propan-2-ylimidazolidin-2-imine
CID 164130043
4-(2-tert-butylimino-3-methylimidazolidin-1-yl)-N,N-dimethylbutan-1-amine
CID 168820032
1-butyl-3-methyl-N-(2-methylbutan-2-yl)imidazolidin-2-imine
CID 169969850
N-[2-(3,3-dimethylpyrrolidin-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 45097226
1-Tert-butyl-2-(1-pyrrolidin-1-ylpropan-2-yl)guanidine
CID 62363579

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111739998) is N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCC(C)(C)N(C)C)N1CCC(C)(C)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is QHTJYMXXBYJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-13(2)8-9-18(11-13)12(15-5)16-10-14(3,4)17(6)7/h8-11H2,1-7H3,(H,15,16).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 254.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111739998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).