3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine

C11H26N4 — CID 104887379

IUPAC3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)CC(C)CC
InChIInChI=1S/C11H26N4/c1-5-8-13-11(14-12)15(7-3)9-10(4)6-2/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyRFSWCEMFYUVGER-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.58
Rot. Bonds6

About 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine

3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine (PubChem CID 104887379) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
PubChem CID104887379
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)CC(C)CC
InChIInChI=1S/C11H26N4/c1-5-8-13-11(14-12)15(7-3)9-10(4)6-2/h10H,5-9,12H2,1-4H3,(H,13,14)
InChIKeyRFSWCEMFYUVGER-UHFFFAOYSA-N
XLogP1.58
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
CID 104886562
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-1-ethyl-1-(2-ethylbutyl)-2-propan-2-ylguanidine
CID 104884798
3-amino-1-(2,2-difluoroethyl)-1-methyl-2-propylguanidine
CID 104888977
3-amino-2-butyl-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)guanidine
CID 104884485

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine (CID 104887379) is 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine is CCC/N=C(\NN)N(CC)CC(C)CC.
What is the InChIKey of 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine?
The InChIKey is RFSWCEMFYUVGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-8-13-11(14-12)15(7-3)9-10(4)6-2/h10H,5-9,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine?
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine is sourced from PubChem (CID 104887379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).