1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine

C13H27N3 — CID 122098460

IUPAC1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
SMILESCCN(CC)/C(N)=N/C1CC1(CC)C(C)C
InChIInChI=1S/C13H27N3/c1-6-13(10(4)5)9-11(13)15-12(14)16(7-2)8-3/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyWNNGPHBFKYACRO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.47
Rot. Bonds5

About 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine

1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine (PubChem CID 122098460) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
PubChem CID122098460
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
SMILESCCN(CC)/C(N)=N/C1CC1(CC)C(C)C
InChIInChI=1S/C13H27N3/c1-6-13(10(4)5)9-11(13)15-12(14)16(7-2)8-3/h10-11H,6-9H2,1-5H3,(H2,14,15)
InChIKeyWNNGPHBFKYACRO-UHFFFAOYSA-N
XLogP2.47
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
CID 122098461
N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide
CID 122098458
2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1,1-diethylguanidine
CID 122099422
1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970327
1-ethyl-1,2-di(propan-2-yl)cyclopropane
CID 140630902
2-(3-ethoxycyclobutyl)-1,1-diethylguanidine
CID 122098565
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219
4-ethyl-4-propan-2-ylpyrrolidine-3-carboxamide
CID 114486997
1,1-diethyl-2-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082528
1,1-diethyl-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086024
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine?
The IUPAC name of 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine (CID 122098460) is 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine.
What is the SMILES notation for 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine?
The canonical SMILES for 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine is CCN(CC)/C(N)=N/C1CC1(CC)C(C)C.
What is the InChIKey of 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine?
The InChIKey is WNNGPHBFKYACRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-13(10(4)5)9-11(13)15-12(14)16(7-2)8-3/h10-11H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine?
1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine is sourced from PubChem (CID 122098460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).