N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

C16H33N5 — CID 109453870

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCN1C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N5/c1-15(2)12-21(16(15,3)4)14(17-5)18-10-13-11-19(6)8-9-20(13)7/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyHBVPLDLQFODGQS-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.93
Rot. Bonds2

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109453870) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109453870
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCN1C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N5/c1-15(2)12-21(16(15,3)4)14(17-5)18-10-13-11-19(6)8-9-20(13)7/h13H,8-12H2,1-7H3,(H,17,18)
InChIKeyHBVPLDLQFODGQS-UHFFFAOYSA-N
XLogP0.93
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 75468667
N',2,2,3,3-pentamethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453575
N-(3-methoxypropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453350
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453382
methyl 3-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]propanoate
CID 109453366
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452148
N-(5-methoxypentyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453954
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453671
N-cyclopropyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453668
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine
CID 111830120
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453662

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109453870) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is C/N=C(\NCC1CN(C)CCN1C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is HBVPLDLQFODGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-15(2)12-21(16(15,3)4)14(17-5)18-10-13-11-19(6)8-9-20(13)7/h13H,8-12H2,1-7H3,(H,17,18).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 295.47 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).