1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine

C19H30N4 — CID 110031198

IUPAC1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
SMILESCC(NC1(C/N=C(\N)N(C)C2CC2)CCCC1)c1ccccc1
InChIInChI=1S/C19H30N4/c1-15(16-8-4-3-5-9-16)22-19(12-6-7-13-19)14-21-18(20)23(2)17-10-11-17/h3-5,8-9,15,17,22H,6-7,10-14H2,1-2H3,(H2,20,21)
InChIKeySLRKXQLJVZTTAB-UHFFFAOYSA-N
MW314.48 g/mol
LogP3.06
Rot. Bonds6

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

1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine (PubChem CID 110031198) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
PubChem CID110031198
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
SMILESCC(NC1(C/N=C(\N)N(C)C2CC2)CCCC1)c1ccccc1
InChIInChI=1S/C19H30N4/c1-15(16-8-4-3-5-9-16)22-19(12-6-7-13-19)14-21-18(20)23(2)17-10-11-17/h3-5,8-9,15,17,22H,6-7,10-14H2,1-2H3,(H2,20,21)
InChIKeySLRKXQLJVZTTAB-UHFFFAOYSA-N
XLogP3.06
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 53.06
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

1,1,3,3-tetramethyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111808861
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine;hydroiodide
CID 111979070
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
[(1R)-1-[[1-[(dimethylsulfamoylamino)methyl]cyclopentyl]amino]ethyl]benzene
CID 95323120
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 110031832
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
1-cyclopropyl-1-methyl-2-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 110029623
N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]methanesulfonamide
CID 95331020

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine (CID 110031198) is 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine is CC(NC1(C/N=C(\N)N(C)C2CC2)CCCC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
The InChIKey is SLRKXQLJVZTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-15(16-8-4-3-5-9-16)22-19(12-6-7-13-19)14-21-18(20)23(2)17-10-11-17/h3-5,8-9,15,17,22H,6-7,10-14H2,1-2H3,(H2,20,21).
What are the key properties of 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine?
1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine has a molecular weight of 314.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine is sourced from PubChem (CID 110031198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).