2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine

C17H30N4 — CID 111051054

IUPAC2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCCN(CC)Cc1cccc(C/N=C(\N)NCC(C)C)c1
InChIInChI=1S/C17H30N4/c1-5-21(6-2)13-16-9-7-8-15(10-16)12-20-17(18)19-11-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H3,18,19,20)
InChIKeyACAJMGFDFOCMCM-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.59
Rot. Bonds8

About 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine

2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine (PubChem CID 111051054) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
PubChem CID111051054
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine
SMILESCCN(CC)Cc1cccc(C/N=C(\N)NCC(C)C)c1
InChIInChI=1S/C17H30N4/c1-5-21(6-2)13-16-9-7-8-15(10-16)12-20-17(18)19-11-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H3,18,19,20)
InChIKeyACAJMGFDFOCMCM-UHFFFAOYSA-N
XLogP2.59
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.59
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

2-[[3-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111045598
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111051075
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111051065
2-[(3-cyanophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110911955
3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058531
1-(2-methylpropyl)-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111059378
2-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111093283
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111051036
2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111047882
2-[[3-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178913

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine (CID 111051054) is 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine is CCN(CC)Cc1cccc(C/N=C(\N)NCC(C)C)c1.
What is the InChIKey of 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine?
The InChIKey is ACAJMGFDFOCMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-21(6-2)13-16-9-7-8-15(10-16)12-20-17(18)19-11-14(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H3,18,19,20).
What are the key properties of 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine?
2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine has a molecular weight of 290.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylaminomethyl)phenyl]methyl]-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 111051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).