1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine

C8H21N5 — CID 104882857

IUPAC1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCN(C)C
InChIInChI=1S/C8H21N5/c1-4-5-10-8(12-9)11-6-7-13(2)3/h4-7,9H2,1-3H3,(H2,10,11,12)
InChIKeyNYUSGHPPCUQSIK-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.63
Rot. Bonds5

About 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine

1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine (PubChem CID 104882857) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
PubChem CID104882857
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
SMILESCCC/N=C(\NN)NCCN(C)C
InChIInChI=1S/C8H21N5/c1-4-5-10-8(12-9)11-6-7-13(2)3/h4-7,9H2,1-3H3,(H2,10,11,12)
InChIKeyNYUSGHPPCUQSIK-UHFFFAOYSA-N
XLogP-0.63
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
1-amino-2-butyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 104882550
1-amino-3-hexyl-2-propylguanidine
CID 104886641
1-amino-2,3-dibutylguanidine
CID 116511844
1-amino-3-[2-(methanesulfonamido)ethyl]-2-propylguanidine
CID 104883881
1-amino-3-(2-cyclopentyloxyethyl)-2-propylguanidine
CID 104886332
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
CID 104885007
1-amino-2-butyl-3-[4-(dimethylamino)butan-2-yl]guanidine
CID 104885244
1-amino-3-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylguanidine
CID 116515869
1-amino-3-tert-butyl-2-propylguanidine
CID 104882795
1-amino-2-butyl-3-(3,3-dimethylbutyl)guanidine
CID 104888851
1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine?
The IUPAC name of 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine (CID 104882857) is 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine?
The canonical SMILES for 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine is CCC/N=C(\NN)NCCN(C)C.
What is the InChIKey of 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine?
The InChIKey is NYUSGHPPCUQSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-4-5-10-8(12-9)11-6-7-13(2)3/h4-7,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine?
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine has a molecular weight of 187.29 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine is sourced from PubChem (CID 104882857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).