2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

C14H30IN3 — CID 111076575

IUPAC2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCC1CCC(CN=C(N(C)C)N(C)C)CC1.I
InChIInChI=1S/C14H29N3.HI/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5;/h12-13H,6-11H2,1-5H3;1H
InChIKeyNGVLEVGAIFRZFU-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.30
Rot. Bonds3

About 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide

2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (PubChem CID 111076575) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
PubChem CID111076575
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
SMILESCCC1CCC(CN=C(N(C)C)N(C)C)CC1.I
InChIInChI=1S/C14H29N3.HI/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5;/h12-13H,6-11H2,1-5H3;1H
InChIKeyNGVLEVGAIFRZFU-UHFFFAOYSA-N
XLogP3.30
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 83032402
1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086348
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
tert-butyl 4-[[bis(dimethylamino)methylideneamino]methyl]piperidine-1-carboxylate
CID 111063022
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
CID 122098480
N-(cyclopropylmethyl)propan-1-imine
CID 91503748
1-cyclohexyl-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 62363418
3-ethyl-2-[(4-ethylcyclohexyl)methyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109386185
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
2-[[(1R,2S)-2-cyclohexylcyclopropyl]methyl]-1,1,3,3-tetramethylguanidine
CID 122096529

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The IUPAC name of 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide (CID 111076575) is 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is CCC1CCC(CN=C(N(C)C)N(C)C)CC1.I.
What is the InChIKey of 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
The InChIKey is NGVLEVGAIFRZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-6-12-7-9-13(10-8-12)11-15-14(16(2)3)17(4)5;/h12-13H,6-11H2,1-5H3;1H.
What are the key properties of 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide?
2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide is sourced from PubChem (CID 111076575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).