1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine

C14H29N3 — CID 111986929

IUPAC1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NCCC1CC1
InChIInChI=1S/C14H29N3/c1-4-12(5-2)11-17-14(15-6-3)16-10-9-13-7-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyRYFHPEUREQCDSG-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds8

About 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine

1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine (PubChem CID 111986929) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine
PubChem CID111986929
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine
SMILESCCN/C(=N\CC(CC)CC)NCCC1CC1
InChIInChI=1S/C14H29N3/c1-4-12(5-2)11-17-14(15-6-3)16-10-9-13-7-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyRYFHPEUREQCDSG-UHFFFAOYSA-N
XLogP2.78
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
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-ethyl-2-(2-ethylbutyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111890786
1-(cyclopropylmethyl)-3-ethyl-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111890722
1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111890753
1-(2-cyclopropylethyl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111604738
1-(4-ethoxybutyl)-3-ethyl-2-(2-ethylbutyl)guanidine
CID 111891337
1-ethyl-2-(2-ethylbutyl)-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111891554
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111988326
tert-butyl N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]carbamate
CID 111891859
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
1-ethyl-2-(2-ethylbutyl)-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111891564
1-ethyl-2-(2-ethylbutyl)-3-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 111988720

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The IUPAC name of 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine (CID 111986929) is 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine is CCN/C(=N\CC(CC)CC)NCCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
The InChIKey is RYFHPEUREQCDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-12(5-2)11-17-14(15-6-3)16-10-9-13-7-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine?
1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine has a molecular weight of 239.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-ethyl-2-(2-ethylbutyl)guanidine is sourced from PubChem (CID 111986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).