1,1,2,3-tetramethyl-3-propylguanidine

C8H19N3 — CID 54549543

IUPAC1,1,2,3-tetramethyl-3-propylguanidine
SMILESCCCN(C)/C(=N/C)N(C)C
InChIInChI=1S/C8H19N3/c1-6-7-11(5)8(9-2)10(3)4/h6-7H2,1-5H3/b9-8+
InChIKeyYREGSYXZCXZETF-CMDGGOBGSA-N
MW157.26 g/mol
LogP0.88
Rot. Bonds2

About 1,1,2,3-tetramethyl-3-propylguanidine

1,1,2,3-tetramethyl-3-propylguanidine (PubChem CID 54549543) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,1,2,3-tetramethyl-3-propylguanidine.

Molecular Properties

Compound Name1,1,2,3-tetramethyl-3-propylguanidine
PubChem CID54549543
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,1,2,3-tetramethyl-3-propylguanidine
SMILESCCCN(C)/C(=N/C)N(C)C
InChIInChI=1S/C8H19N3/c1-6-7-11(5)8(9-2)10(3)4/h6-7H2,1-5H3/b9-8+
InChIKeyYREGSYXZCXZETF-CMDGGOBGSA-N
XLogP0.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1,1,2,3-tetramethyl-3-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[methoxy(dimethyl)silyl]propyl]-1,2,3,3-tetramethylguanidine
CID 170637665
1-chloro-1,2,3,3-tetramethylguanidine
CID 53439431
1-ethyl-1,2,3-trimethyl-3-(N,N,N'-trimethylcarbamimidoyl)guanidine;methane;N,N,N'-trimethylethanimidamide
CID 161359826
1-bis[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]phosphanyl-1,2,3,3-tetramethylguanidine
CID 91478563
bis(diethylamino)-[methyl-(N,N,N'-trimethylcarbamimidoyl)amino]sulfanium bromide
CID 21040206
N-methyl-N,N'-dipropylethanimidamide
CID 146184290
(E)-N-methyl-N-propylhex-3-en-3-amine
CID 155199527
(N,N'-dimethyl-N-pentylcarbamimidoyl)-trimethylazanium
CID 87811750
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
CID 58112258
1,1,3,3-tetramethyl-2-octadecylguanidine
CID 153446328
1-dichloroindiganyl-N-ethyl-N,N'-dimethylmethanimidamide
CID 169094165
1-cyano-N-methyl-N-propylformamide
CID 115171945

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetramethyl-3-propylguanidine?
The IUPAC name of 1,1,2,3-tetramethyl-3-propylguanidine (CID 54549543) is 1,1,2,3-tetramethyl-3-propylguanidine.
What is the SMILES notation for 1,1,2,3-tetramethyl-3-propylguanidine?
The canonical SMILES for 1,1,2,3-tetramethyl-3-propylguanidine is CCCN(C)/C(=N/C)N(C)C.
What is the InChIKey of 1,1,2,3-tetramethyl-3-propylguanidine?
The InChIKey is YREGSYXZCXZETF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H19N3/c1-6-7-11(5)8(9-2)10(3)4/h6-7H2,1-5H3/b9-8+.
What are the key properties of 1,1,2,3-tetramethyl-3-propylguanidine?
1,1,2,3-tetramethyl-3-propylguanidine has a molecular weight of 157.26 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetramethyl-3-propylguanidine is sourced from PubChem (CID 54549543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).