2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide

C14H23N3 — CID 55159960

IUPAC2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
SMILESCC(C)/C(N)=N\CCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3/c1-12(2)14(15)16-10-7-11-17(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,15,16)
InChIKeyRLCWYAGTQITUDM-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds6

About 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide

2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide (PubChem CID 55159960) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
PubChem CID55159960
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide
SMILESCC(C)/C(N)=N\CCCN(C)c1ccccc1
InChIInChI=1S/C14H23N3/c1-12(2)14(15)16-10-7-11-17(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,15,16)
InChIKeyRLCWYAGTQITUDM-UHFFFAOYSA-N
XLogP2.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1-methyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110029505
1,3-diethyl-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 110924966
2-hexyl-1-[2-(N-methylanilino)ethyl]guanidine
CID 111037444
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
2-methyl-N'-(3-phenylbutyl)propanimidamide
CID 63181443
1-[2-(N-methylanilino)ethyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 111037435
1-(3,4-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029939
1,1,3,3-tetramethyl-2-[2-(N-methylanilino)ethyl]guanidine
CID 111037460
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111234572
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
CID 111029946
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111029925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide (CID 55159960) is 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide is CC(C)/C(N)=N\CCCN(C)c1ccccc1.
What is the InChIKey of 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide?
The InChIKey is RLCWYAGTQITUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-12(2)14(15)16-10-7-11-17(3)13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,15,16).
What are the key properties of 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide?
2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide has a molecular weight of 233.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(N-methylanilino)propyl]propanimidamide is sourced from PubChem (CID 55159960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).