3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine

C12H28N4 — CID 104887436

IUPAC3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine
SMILESCC/N=C(\NN)N(CC(C)C)C(CC)CC
InChIInChI=1S/C12H28N4/c1-6-11(7-2)16(9-10(4)5)12(15-13)14-8-3/h10-11H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyHFIIACIWPODJKJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.97
Rot. Bonds6

About 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine

3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine (PubChem CID 104887436) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine
PubChem CID104887436
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine
SMILESCC/N=C(\NN)N(CC(C)C)C(CC)CC
InChIInChI=1S/C12H28N4/c1-6-11(7-2)16(9-10(4)5)12(15-13)14-8-3/h10-11H,6-9,13H2,1-5H3,(H,14,15)
InChIKeyHFIIACIWPODJKJ-UHFFFAOYSA-N
XLogP1.97
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.97
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-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
CID 103192667
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1-ethyl-1,2-bis(2-methylpropyl)guanidine
CID 104883501
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
3-amino-1-butan-2-yl-1-methyl-2-(2-methylpropyl)guanidine
CID 104883606
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542
3-amino-2-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)guanidine
CID 104887509
(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812
3-amino-2-butyl-1-methyl-1-pentan-3-ylguanidine
CID 104884016
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine?
The IUPAC name of 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine (CID 104887436) is 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine.
What is the SMILES notation for 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine?
The canonical SMILES for 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine is CC/N=C(\NN)N(CC(C)C)C(CC)CC.
What is the InChIKey of 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine?
The InChIKey is HFIIACIWPODJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-6-11(7-2)16(9-10(4)5)12(15-13)14-8-3/h10-11H,6-9,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine?
3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine has a molecular weight of 228.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-1-(2-methylpropyl)-1-pentan-3-ylguanidine is sourced from PubChem (CID 104887436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).