2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine

C12H25N3 — CID 122098461

IUPAC2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
SMILESCCC1(C(C)C)CC1/N=C(\N)NC(C)C
InChIInChI=1S/C12H25N3/c1-6-12(8(2)3)7-10(12)15-11(13)14-9(4)5/h8-10H,6-7H2,1-5H3,(H3,13,14,15)
InChIKeyUYZVDPQKVXYVEV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine

2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine (PubChem CID 122098461) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
PubChem CID122098461
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine
SMILESCCC1(C(C)C)CC1/N=C(\N)NC(C)C
InChIInChI=1S/C12H25N3/c1-6-12(8(2)3)7-10(12)15-11(13)14-9(4)5/h8-10H,6-7H2,1-5H3,(H3,13,14,15)
InChIKeyUYZVDPQKVXYVEV-UHFFFAOYSA-N
XLogP2.12
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
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

1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
CID 122098460
N'-(2-ethyl-2-propan-2-ylcyclopropyl)morpholine-4-carboximidamide
CID 122098458
2-(1-methylazetidin-3-yl)-1-propan-2-ylguanidine
CID 130637018
2-(7-bicyclo[4.1.0]heptanyl)-1-propan-2-ylguanidine
CID 131181910
2-(4-hydroxycyclohexyl)-1-propan-2-ylguanidine
CID 62364594
4-[[amino-(propan-2-ylamino)methylidene]amino]cyclohexane-1-carboxamide
CID 62363982
1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine
CID 103761307
2-(2-methylpentan-3-yl)-1-propan-2-ylguanidine
CID 62361572
1-propan-2-yl-2-(1-sulfanylpropyl)guanidine
CID 21150356
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine (CID 122098461) is 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine is CCC1(C(C)C)CC1/N=C(\N)NC(C)C.
What is the InChIKey of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine?
The InChIKey is UYZVDPQKVXYVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-6-12(8(2)3)7-10(12)15-11(13)14-9(4)5/h8-10H,6-7H2,1-5H3,(H3,13,14,15).
What are the key properties of 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine?
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 122098461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).