1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide

C14H31IN4 — CID 111086348

IUPAC1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
SMILESCC(C)N1CCCC(CN=C(N(C)C)N(C)C)C1.I
InChIInChI=1S/C14H30N4.HI/c1-12(2)18-9-7-8-13(11-18)10-15-14(16(3)4)17(5)6;/h12-13H,7-11H2,1-6H3;1H
InChIKeyBCWMDSIOWNLVGR-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.20
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide (PubChem CID 111086348) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
PubChem CID111086348
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
SMILESCC(C)N1CCCC(CN=C(N(C)C)N(C)C)C1.I
InChIInChI=1S/C14H30N4.HI/c1-12(2)18-9-7-8-13(11-18)10-15-14(16(3)4)17(5)6;/h12-13H,7-11H2,1-6H3;1H
InChIKeyBCWMDSIOWNLVGR-UHFFFAOYSA-N
XLogP2.20
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.20
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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Related Compounds

1-propan-2-yl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086324
1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086316
1-butan-2-yl-3-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110943909
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
1-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111849352
1-ethyl-3-(3-methylbutyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 110977655
1-ethyl-3-(2-methylsulfanylethyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111345300
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
2-[[ethylamino-[(1-propan-2-ylpiperidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365310
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
1-ethyl-3-(1-phenylethyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110948427

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide (CID 111086348) is 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide is CC(C)N1CCCC(CN=C(N(C)C)N(C)C)C1.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is BCWMDSIOWNLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-12(2)18-9-7-8-13(11-18)10-15-14(16(3)4)17(5)6;/h12-13H,7-11H2,1-6H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111086348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).