1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine

C17H28N4 — CID 111111884

IUPAC1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
SMILESC/N=C(/NCC(C)(C)NC(C)c1ccccc1)NC1CC1
InChIInChI=1S/C17H28N4/c1-13(14-8-6-5-7-9-14)21-17(2,3)12-19-16(18-4)20-15-10-11-15/h5-9,13,15,21H,10-12H2,1-4H3,(H2,18,19,20)
InChIKeyFGKKNTMKLBHFDD-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.44
Rot. Bonds6

About 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine

1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine (PubChem CID 111111884) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
PubChem CID111111884
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
SMILESC/N=C(/NCC(C)(C)NC(C)c1ccccc1)NC1CC1
InChIInChI=1S/C17H28N4/c1-13(14-8-6-5-7-9-14)21-17(2,3)12-19-16(18-4)20-15-10-11-15/h5-9,13,15,21H,10-12H2,1-4H3,(H2,18,19,20)
InChIKeyFGKKNTMKLBHFDD-UHFFFAOYSA-N
XLogP2.44
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.44
H-Bond Donors ≤ 53
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

1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine;hydroiodide
CID 111761058
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine
CID 111764529
1-cyclopropyl-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110933882
1-cyclopropyl-3-(2,2-dimethyl-3-phenylpropyl)-2-methylguanidine;hydroiodide
CID 111425065
2-methyl-1-[2-methyl-2-(1-phenylethylamino)propyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111767458
1-cyclopentyl-3-[2-(dimethylamino)-2-phenylethyl]-2-methylguanidine
CID 110991267
2-methyl-1-[2-methyl-2-(1-phenylethylamino)propyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980654
1-cyclopropyl-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111179317
4-(hydroxymethyl)-N-[2-methyl-2-(1-phenylethylamino)propyl]piperidine-1-carboxamide
CID 111123444
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-methyl-1-[2-methyl-2-(2-methylphenyl)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318474
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111530274

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine (CID 111111884) is 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine is C/N=C(/NCC(C)(C)NC(C)c1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
The InChIKey is FGKKNTMKLBHFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(14-8-6-5-7-9-14)21-17(2,3)12-19-16(18-4)20-15-10-11-15/h5-9,13,15,21H,10-12H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine?
1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine has a molecular weight of 288.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methyl-3-[2-methyl-2-(1-phenylethylamino)propyl]guanidine is sourced from PubChem (CID 111111884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).