1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine

C16H26N4 — CID 129399278

IUPAC1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC[C@@H](C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-17-16(18-2)19-11-15(14-9-10-14)20(3)12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyHCCFWXLQOQUOHH-HNNXBMFYSA-N
MW274.41 g/mol
LogP1.69
Rot. Bonds6

About 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine

1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine (PubChem CID 129399278) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine
PubChem CID129399278
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC[C@@H](C1CC1)N(C)Cc1ccccc1
InChIInChI=1S/C16H26N4/c1-17-16(18-2)19-11-15(14-9-10-14)20(3)12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H2,17,18,19)/t15-/m0/s1
InChIKeyHCCFWXLQOQUOHH-HNNXBMFYSA-N
XLogP1.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-cyclopropylethyl]but-2-ynamide
CID 146083738
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198653
1-[3-[benzyl(methyl)amino]butyl]-2,3-dimethylguanidine;hydroiodide
CID 86778179
4-[[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]methyl]benzoic acid
CID 122033082
N-[1-[[2-[benzyl(methyl)amino]-2-cyclopropylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 86798366
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111780408
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111900559
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine;hydroiodide
CID 111011272
1-benzyl-3-(2,2-dicyclopropylethyl)-2-methylguanidine;hydroiodide
CID 111492821
1-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111782695
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359913
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine?
The IUPAC name of 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine (CID 129399278) is 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine.
What is the SMILES notation for 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine?
The canonical SMILES for 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine is C/N=C(\NC)NC[C@@H](C1CC1)N(C)Cc1ccccc1.
What is the InChIKey of 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine?
The InChIKey is HCCFWXLQOQUOHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4/c1-17-16(18-2)19-11-15(14-9-10-14)20(3)12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H2,17,18,19)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine?
1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine has a molecular weight of 274.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[benzyl(methyl)amino]-2-cyclopropylethyl]-2,3-dimethylguanidine is sourced from PubChem (CID 129399278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).