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

C8H19N3 — CID 525263

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

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

1,1,3,3-tetramethyl-2-propylguanidine (PubChem CID 525263) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-propylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-propylguanidine
PubChem CID525263
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name1,1,3,3-tetramethyl-2-propylguanidine
SMILESCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C8H19N3/c1-6-7-9-8(10(2)3)11(4)5/h6-7H2,1-5H3
InChIKeyONZXWZBWSBWVTJ-UHFFFAOYSA-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'}

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Related Compounds

Guanidine, N,N,N',N',N''-pentaethyl-
CID 238097
2-tert-Butyl-1,1,3,3-tetramethylguanidine
CID 3571581
N''-Butyl-N,N,N',N'-tetramethyl-guanidine
CID 525255
2-[3-[Bis(dimethylamino)methylideneamino]propyl]-1,1,3,3-tetramethylguanidine
CID 12058928
N-ethyl-N-(dimethylaminopropyl)carbodiimide
CID 19969141
N-butyl-N',N',N'',N''-tetramethylguanidine
CID 20446383
N,N,N',N'-Tetramethyl-N''-[2-(N',N',N'',N''-tetramethylguanidino)ethyl]guanidine
CID 23154888
N-propyl-tetramethylguanidine
CID 54549543
(Dimethylamino) propyl-3-ethylcarbodiimide hydrochloride
CID 87275017
Dimethylamino-propyl ethyl carbodiimide
CID 87275018
Bis(diethylamino)methylidene-diethylazanium
CID 5744059
2-(2-Fluorobutyl)-1,1,3,3-tetramethylguanidine
CID 87237865

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-propylguanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-propylguanidine (CID 525263) is 1,1,3,3-tetramethyl-2-propylguanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-propylguanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-propylguanidine is CCCN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-propylguanidine?
The InChIKey is ONZXWZBWSBWVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-6-7-9-8(10(2)3)11(4)5/h6-7H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-propylguanidine?
1,1,3,3-tetramethyl-2-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 1,1,3,3-tetramethyl-2-propylguanidine is sourced from PubChem (CID 525263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).