2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C16H35IN4 — CID 111080124

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCC1CC(C)CN(C(C)(C)CN=C(N(C)C)N(C)C)C1.I
InChIInChI=1S/C16H34N4.HI/c1-13-9-14(2)11-20(10-13)16(3,4)12-17-15(18(5)6)19(7)8;/h13-14H,9-12H2,1-8H3;1H
InChIKeyBPVIACMPGROMQZ-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.84
Rot. Bonds3

About 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111080124) has the molecular formula C16H35IN4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111080124
Molecular FormulaC16H35IN4
Molecular Weight410.39 g/mol
Exact Mass410.19
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCC1CC(C)CN(C(C)(C)CN=C(N(C)C)N(C)C)C1.I
InChIInChI=1S/C16H34N4.HI/c1-13-9-14(2)11-20(10-13)16(3,4)12-17-15(18(5)6)19(7)8;/h13-14H,9-12H2,1-8H3;1H
InChIKeyBPVIACMPGROMQZ-UHFFFAOYSA-N
XLogP2.84
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111080124) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CC1CC(C)CN(C(C)(C)CN=C(N(C)C)N(C)C)C1.I.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is BPVIACMPGROMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4.HI/c1-13-9-14(2)11-20(10-13)16(3,4)12-17-15(18(5)6)19(7)8;/h13-14H,9-12H2,1-8H3;1H.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 410.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111080124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).