1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine

C15H29N3 — CID 111500231

IUPAC1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C1CC1)C1CC1
InChIInChI=1S/C15H29N3/c1-4-16-15(17-9-11(2)3)18-10-14(12-5-6-12)13-7-8-13/h11-14H,4-10H2,1-3H3,(H2,16,17,18)
InChIKeyZBWSPQZOXSVBFG-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.63
Rot. Bonds7

About 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine

1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 111500231) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine
PubChem CID111500231
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C1CC1)C1CC1
InChIInChI=1S/C15H29N3/c1-4-16-15(17-9-11(2)3)18-10-14(12-5-6-12)13-7-8-13/h11-14H,4-10H2,1-3H3,(H2,16,17,18)
InChIKeyZBWSPQZOXSVBFG-UHFFFAOYSA-N
XLogP2.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.63
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-[2-(diethylamino)propyl]-3-ethyl-2-(2-methylpropyl)guanidine
CID 111178078
1-butan-2-yl-2-(2,2-dicyclopropylethyl)-3-ethylguanidine
CID 111492016
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111499960
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111491600
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(2-methylpropyl)guanidine
CID 111714547
1-ethyl-2-(2-methylpropyl)-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111181002
1-ethyl-2-(2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111181088
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 111709664
1-(3-cyclopentyloxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180802
1-[(1,1-dioxothiolan-3-yl)methyl]-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111178445
1-(3-butoxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine
CID 111180121

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine (CID 111500231) is 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCC(C1CC1)C1CC1.
What is the InChIKey of 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is ZBWSPQZOXSVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-16-15(17-9-11(2)3)18-10-14(12-5-6-12)13-7-8-13/h11-14H,4-10H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine?
1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 251.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dicyclopropylethyl)-3-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111500231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).