1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

C15H32N4S — CID 111609522

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(/NCCN(C(C)C)C1CC1)NCC(C)(C)SC
InChIInChI=1S/C15H32N4S/c1-12(2)19(13-7-8-13)10-9-17-14(16-5)18-11-15(3,4)20-6/h12-13H,7-11H2,1-6H3,(H2,16,17,18)
InChIKeyBAGNQNKDIKYBLY-UHFFFAOYSA-N
MW300.52 g/mol
LogP2.17
Rot. Bonds8

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (PubChem CID 111609522) has the molecular formula C15H32N4S and a molecular weight of 300.52 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
PubChem CID111609522
Molecular FormulaC15H32N4S
Molecular Weight300.52 g/mol
Exact Mass300.23
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
SMILESC/N=C(/NCCN(C(C)C)C1CC1)NCC(C)(C)SC
InChIInChI=1S/C15H32N4S/c1-12(2)19(13-7-8-13)10-9-17-14(16-5)18-11-15(3,4)20-6/h12-13H,7-11H2,1-6H3,(H2,16,17,18)
InChIKeyBAGNQNKDIKYBLY-UHFFFAOYSA-N
XLogP2.17
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 52.17
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-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315911
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111611752
1-[2-[butan-2-yl(methyl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111611751
1-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111225079
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111611514
1-[(4-chlorophenyl)methyl]-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 111131612
1-[3-(diethylamino)propyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111609164
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylsulfonylethyl)guanidine
CID 111609288
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111362209
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111941144
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111610448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine (CID 111609522) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is C/N=C(/NCCN(C(C)C)C1CC1)NCC(C)(C)SC.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
The InChIKey is BAGNQNKDIKYBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4S/c1-12(2)19(13-7-8-13)10-9-17-14(16-5)18-11-15(3,4)20-6/h12-13H,7-11H2,1-6H3,(H2,16,17,18).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine has a molecular weight of 300.52 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine is sourced from PubChem (CID 111609522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).