N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride

C7H18ClN3 — CID 175539256

IUPACN,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride
SMILESCN1CC[N+](C)(N(C)C)C1.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8(2)10(4)6-5-9(3)7-10;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyAPVLZLXXEDZXTR-UHFFFAOYSA-M
MW179.69 g/mol
LogP-3.18
Rot. Bonds1

About N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride

N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride (PubChem CID 175539256) has the molecular formula C7H18ClN3 and a molecular weight of 179.69 g/mol. Its IUPAC name is N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride.

Molecular Properties

Compound NameN,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride
PubChem CID175539256
Molecular FormulaC7H18ClN3
Molecular Weight179.69 g/mol
Exact Mass179.12
IUPAC NameN,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride
SMILESCN1CC[N+](C)(N(C)C)C1.[Cl-]
InChIInChI=1S/C7H18N3.ClH/c1-8(2)10(4)6-5-9(3)7-10;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKeyAPVLZLXXEDZXTR-UHFFFAOYSA-M
XLogP-3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride?
The IUPAC name of N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride (CID 175539256) is N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride.
What is the SMILES notation for N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride?
The canonical SMILES for N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride is CN1CC[N+](C)(N(C)C)C1.[Cl-].
What is the InChIKey of N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride?
The InChIKey is APVLZLXXEDZXTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18N3.ClH/c1-8(2)10(4)6-5-9(3)7-10;/h5-7H2,1-4H3;1H/q+1;/p-1.
What are the key properties of N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride?
N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride has a molecular weight of 179.69 g/mol, XLogP of -3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethylimidazolidin-1-ium-1-amine chloride is sourced from PubChem (CID 175539256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).