1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine

C19H32N4 — CID 111172033

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
SMILESCCN(CCN/C(=N\C)NC(C)CCc1ccccc1)C1CC1
InChIInChI=1S/C19H32N4/c1-4-23(18-12-13-18)15-14-21-19(20-3)22-16(2)10-11-17-8-6-5-7-9-17/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyNWQBBCXVSCKGLF-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.66
Rot. Bonds9

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine (PubChem CID 111172033) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
PubChem CID111172033
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
SMILESCCN(CCN/C(=N\C)NC(C)CCc1ccccc1)C1CC1
InChIInChI=1S/C19H32N4/c1-4-23(18-12-13-18)15-14-21-19(20-3)22-16(2)10-11-17-8-6-5-7-9-17/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyNWQBBCXVSCKGLF-UHFFFAOYSA-N
XLogP2.66
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.66
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-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134879
1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 110945267
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978705
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-(3-phenylpropyl)guanidine
CID 111199136
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111395753
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295887
N-[2-[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]ethyl]cyclohexanecarboxamide;hydroiodide
CID 111172740
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[4-(2-phenylethoxy)butyl]guanidine
CID 110999725
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171807
2-methyl-1-(4-methylsulfanylbutyl)-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111792832
1-(2-benzylsulfinylethyl)-2-methyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111761608

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine (CID 111172033) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine is CCN(CCN/C(=N\C)NC(C)CCc1ccccc1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine?
The InChIKey is NWQBBCXVSCKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-23(18-12-13-18)15-14-21-19(20-3)22-16(2)10-11-17-8-6-5-7-9-17/h5-9,16,18H,4,10-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine is sourced from PubChem (CID 111172033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).