1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine

C10H23N3O — CID 124628881

IUPAC1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine
SMILESCCNC(=NC[C@H](C)COC)NCC
InChIInChI=1S/C10H23N3O/c1-5-11-10(12-6-2)13-7-9(3)8-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)/t9-/m0/s1
InChIKeyNDVRCJBWDGHVJK-VIFPVBQESA-N
MW201.31 g/mol
LogP0.84
Rot. Bonds6

About 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine

1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine (PubChem CID 124628881) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine
PubChem CID124628881
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine
SMILESCCNC(=NC[C@H](C)COC)NCC
InChIInChI=1S/C10H23N3O/c1-5-11-10(12-6-2)13-7-9(3)8-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)/t9-/m0/s1
InChIKeyNDVRCJBWDGHVJK-VIFPVBQESA-N
XLogP0.84
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.84
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

N'-(3-methoxy-2-methylpropyl)propanimidamide
CID 63177797
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 110976383
methyl 3-[bis(ethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
CID 110930532
1-ethyl-3-(3-methoxypropyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 110976653
1-ethyl-3-(2-methoxyethyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 110942411
1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111180437
1-amino-3-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 104885101
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-(2-methylpropoxy)ethyl]guanidine
CID 111235595
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methoxyethyl)guanidine
CID 111544953
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111491600
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine?
The IUPAC name of 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine (CID 124628881) is 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine.
What is the SMILES notation for 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine?
The canonical SMILES for 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine is CCNC(=NC[C@H](C)COC)NCC.
What is the InChIKey of 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine?
The InChIKey is NDVRCJBWDGHVJK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-11-10(12-6-2)13-7-9(3)8-14-4/h9H,5-8H2,1-4H3,(H2,11,12,13)/t9-/m0/s1.
What are the key properties of 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine?
1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-[(2S)-3-methoxy-2-methylpropyl]guanidine is sourced from PubChem (CID 124628881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).