2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine

C14H29N3 — CID 111195864

IUPAC2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine
SMILESCCCCCC(C)N/C(=N\CC)NC1CC1C
InChIInChI=1S/C14H29N3/c1-5-7-8-9-12(4)16-14(15-6-2)17-13-10-11(13)3/h11-13H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyGXUYQXMVUPOLLZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.92
Rot. Bonds7

About 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine

2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine (PubChem CID 111195864) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine
PubChem CID111195864
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine
SMILESCCCCCC(C)N/C(=N\CC)NC1CC1C
InChIInChI=1S/C14H29N3/c1-5-7-8-9-12(4)16-14(15-6-2)17-13-10-11(13)3/h11-13H,5-10H2,1-4H3,(H2,15,16,17)
InChIKeyGXUYQXMVUPOLLZ-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(butan-2-ylamino)-[(2-methylcyclopropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545230
1-cyclopropyl-2-ethyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111204031
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
CID 111195113
2-ethyl-3-heptan-2-yl-1,1-dimethylguanidine;hydroiodide
CID 111194939
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-butyl-2-ethyl-1-methyl-3-(2-methylcyclopropyl)guanidine
CID 111158817
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
2-(heptan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791589
1-N,3-N,5-N-tri(octan-2-yl)cyclohexane-1,3,5-tricarboxamide
CID 102292990
N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
CID 111195048
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine?
The IUPAC name of 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine (CID 111195864) is 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine.
What is the SMILES notation for 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine?
The canonical SMILES for 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine is CCCCCC(C)N/C(=N\CC)NC1CC1C.
What is the InChIKey of 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine?
The InChIKey is GXUYQXMVUPOLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-7-8-9-12(4)16-14(15-6-2)17-13-10-11(13)3/h11-13H,5-10H2,1-4H3,(H2,15,16,17).
What are the key properties of 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine?
2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-heptan-2-yl-3-(2-methylcyclopropyl)guanidine is sourced from PubChem (CID 111195864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).