1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide

C19H33IN4 — CID 111808861

IUPAC1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
SMILESCC(NC1(CN=C(N(C)C)N(C)C)CCCC1)c1ccccc1.I
InChIInChI=1S/C19H32N4.HI/c1-16(17-11-7-6-8-12-17)21-19(13-9-10-14-19)15-20-18(22(2)3)23(4)5;/h6-8,11-12,16,21H,9-10,13-15H2,1-5H3;1H
InChIKeyVMMWJJJVGMDFFB-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.75
Rot. Bonds5

About 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide

1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide (PubChem CID 111808861) has the molecular formula C19H33IN4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
PubChem CID111808861
Molecular FormulaC19H33IN4
Molecular Weight444.41 g/mol
Exact Mass444.17
IUPAC Name1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
SMILESCC(NC1(CN=C(N(C)C)N(C)C)CCCC1)c1ccccc1.I
InChIInChI=1S/C19H32N4.HI/c1-16(17-11-7-6-8-12-17)21-19(13-9-10-14-19)15-20-18(22(2)3)23(4)5;/h6-8,11-12,16,21H,9-10,13-15H2,1-5H3;1H
InChIKeyVMMWJJJVGMDFFB-UHFFFAOYSA-N
XLogP3.75
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
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'}

Analyze 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 110031198
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111979070
[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
CID 95323120
N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
CID 1388970
N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
CID 3844507
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020
2-methyl-1-[[1-(1-phenylethylamino)cyclopentyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 111779427
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1-(2-methylprop-2-enyl)-2-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111812851
1-ethyl-3-(2-methoxyethyl)-2-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111825925
4-amino-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]butanamide
CID 119884570

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide (CID 111808861) is 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide is CC(NC1(CN=C(N(C)C)N(C)C)CCCC1)c1ccccc1.I.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide?
The InChIKey is VMMWJJJVGMDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4.HI/c1-16(17-11-7-6-8-12-17)21-19(13-9-10-14-19)15-20-18(22(2)3)23(4)5;/h6-8,11-12,16,21H,9-10,13-15H2,1-5H3;1H.
What are the key properties of 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide?
1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide has a molecular weight of 444.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111808861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).