2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine

C8H21N5 — CID 103189435

IUPAC2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
SMILESCCN(C(N)=NN)C(C)CN(C)C
InChIInChI=1S/C8H21N5/c1-5-13(8(9)11-10)7(2)6-12(3)4/h7H,5-6,10H2,1-4H3,(H2,9,11)
InChIKeyHKLUTFAQAZXKAI-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.55
Rot. Bonds4

About 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine

2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine (PubChem CID 103189435) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine.

Molecular Properties

Compound Name2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
PubChem CID103189435
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine
SMILESCCN(C(N)=NN)C(C)CN(C)C
InChIInChI=1S/C8H21N5/c1-5-13(8(9)11-10)7(2)6-12(3)4/h7H,5-6,10H2,1-4H3,(H2,9,11)
InChIKeyHKLUTFAQAZXKAI-UHFFFAOYSA-N
XLogP-0.55
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-propylguanidine
CID 103189428
1-butan-2-yl-1-ethyl-2-hydroxyguanidine
CID 76944346
3-amino-1-[1-(dimethylamino)propan-2-yl]-1,2-diethylguanidine
CID 103192667
2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103187986
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
CID 103188745
1-ethyl-2-hydroxy-1-(1-methoxypropan-2-yl)guanidine
CID 76944335
3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103187371
2-[1-(dimethylamino)propan-2-yl-ethylamino]ethanethioamide
CID 103189022

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine?
The IUPAC name of 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine (CID 103189435) is 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine.
What is the SMILES notation for 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine?
The canonical SMILES for 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine is CCN(C(N)=NN)C(C)CN(C)C.
What is the InChIKey of 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine?
The InChIKey is HKLUTFAQAZXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-5-13(8(9)11-10)7(2)6-12(3)4/h7H,5-6,10H2,1-4H3,(H2,9,11).
What are the key properties of 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine?
2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine has a molecular weight of 187.29 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethylguanidine is sourced from PubChem (CID 103189435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).