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

C14H24N4 — CID 111037460

IUPAC1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCN(C)C(=NCCN(C)c1ccccc1)N(C)C
InChIInChI=1S/C14H24N4/c1-16(2)14(17(3)4)15-11-12-18(5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyXWBVXOUMYZKEGJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.60
Rot. Bonds4

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

1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine (PubChem CID 111037460) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
PubChem CID111037460
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
SMILESCN(C)C(=NCCN(C)c1ccccc1)N(C)C
InChIInChI=1S/C14H24N4/c1-16(2)14(17(3)4)15-11-12-18(5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3
InChIKeyXWBVXOUMYZKEGJ-UHFFFAOYSA-N
XLogP1.60
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.60
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

carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056439
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
4-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 110919342
N-ethyl-N'-[2-(N-methylanilino)ethyl]pyrrolidine-1-carboximidamide
CID 110956598
N,N,N'-trimethyl-N'-[2-(N-methylanilino)ethyl]ethane-1,2-diamine
CID 70599954
2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
CID 55159960
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
N-[4-(N-methylanilino)butan-2-ylidene]hydroxylamine
CID 86738152
1-cyclopentyl-3-ethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 110992389
1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine (CID 111037460) is 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine is CN(C)C(=NCCN(C)c1ccccc1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine?
The InChIKey is XWBVXOUMYZKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-16(2)14(17(3)4)15-11-12-18(5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine?
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine has a molecular weight of 248.37 g/mol, XLogP of 1.60, 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)ethyl]guanidine is sourced from PubChem (CID 111037460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).