1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine

C15H26N4 — CID 111056439

IUPAC1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
SMILESCC(CN=C(N(C)C)N(C)C)N(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-13(12-16-15(17(2)3)18(4)5)19(6)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3
InChIKeyYFVPNYXWGXRHBQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.99
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine

1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine (PubChem CID 111056439) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
PubChem CID111056439
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
SMILESCC(CN=C(N(C)C)N(C)C)N(C)c1ccccc1
InChIInChI=1S/C15H26N4/c1-13(12-16-15(17(2)3)18(4)5)19(6)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3
InChIKeyYFVPNYXWGXRHBQ-UHFFFAOYSA-N
XLogP1.99
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 111037460
4-(N-methylanilino)pentan-2-one
CID 64697699
1,1,3,3-tetramethyl-2-(2-phenylsulfanylpropyl)guanidine
CID 111820252
3-(N-methylanilino)butanoic acid
CID 72755664
1-(cyclobutylmethyl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056450
2-[2-(diethylamino)-3-phenylpropyl]-1,1,3,3-tetramethylguanidine
CID 111055283
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(N-methylanilino)propyl]guanidine
CID 111056423
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 143778678
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364538

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine (CID 111056439) is 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine is CC(CN=C(N(C)C)N(C)C)N(C)c1ccccc1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine?
The InChIKey is YFVPNYXWGXRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(12-16-15(17(2)3)18(4)5)19(6)14-10-8-7-9-11-14/h7-11,13H,12H2,1-6H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine?
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine has a molecular weight of 262.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 111056439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).