1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine

C11H20N4 — CID 62361925

IUPAC1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(CCC#N)/C(N)=N/C1CC1
InChIInChI=1S/C11H20N4/c1-9(2)8-15(7-3-6-12)11(13)14-10-4-5-10/h9-10H,3-5,7-8H2,1-2H3,(H2,13,14)
InChIKeySQXCIKIPBPNDCL-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.34
Rot. Bonds5

About 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine

1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine (PubChem CID 62361925) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine
PubChem CID62361925
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(CCC#N)/C(N)=N/C1CC1
InChIInChI=1S/C11H20N4/c1-9(2)8-15(7-3-6-12)11(13)14-10-4-5-10/h9-10H,3-5,7-8H2,1-2H3,(H2,13,14)
InChIKeySQXCIKIPBPNDCL-UHFFFAOYSA-N
XLogP1.34
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
1-cyclopentyl-2-cyclopropyl-1-(2-methylpropyl)guanidine
CID 78967117
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
3-[(4-aminocyclohexyl)-(2-methylpropyl)amino]propanenitrile
CID 79468498
N-(2-cyanoethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 60654495
2-[2-cyanoethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876322
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine (CID 62361925) is 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine is CC(C)CN(CCC#N)/C(N)=N/C1CC1.
What is the InChIKey of 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine?
The InChIKey is SQXCIKIPBPNDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)8-15(7-3-6-12)11(13)14-10-4-5-10/h9-10H,3-5,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine?
1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine has a molecular weight of 208.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-2-cyclopropyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 62361925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).