2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine

C16H26N4O — CID 111099144

IUPAC2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCN(C(C)C)C2CC2)cc1
InChIInChI=1S/C16H26N4O/c1-12(2)20(14-6-7-14)11-10-18-16(17)19-13-4-8-15(21-3)9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H3,17,18,19)
InChIKeyDPAKKUVGXJMRFQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds7

About 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine

2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111099144) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111099144
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCN(C(C)C)C2CC2)cc1
InChIInChI=1S/C16H26N4O/c1-12(2)20(14-6-7-14)11-10-18-16(17)19-13-4-8-15(21-3)9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H3,17,18,19)
InChIKeyDPAKKUVGXJMRFQ-UHFFFAOYSA-N
XLogP2.29
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111096559
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(2-methoxyphenyl)guanidine
CID 111099140
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099183
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
CID 111062739
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111099163
2-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111092837
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
2-[2-[benzyl(methyl)amino]ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111078698
1-(4-butan-2-ylphenyl)-2-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]guanidine
CID 111099212

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine (CID 111099144) is 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/CCN(C(C)C)C2CC2)cc1.
What is the InChIKey of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is DPAKKUVGXJMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)20(14-6-7-14)11-10-18-16(17)19-13-4-8-15(21-3)9-5-13/h4-5,8-9,12,14H,6-7,10-11H2,1-3H3,(H3,17,18,19).
What are the key properties of 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine?
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 290.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111099144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).