3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide

C14H21N3O — CID 61432084

IUPAC3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-10-8-11(14(15)16)5-6-13(10)17(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyWTRKTBCPSMUBRO-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide

3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (PubChem CID 61432084) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
PubChem CID61432084
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC2CCCO2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-10-8-11(14(15)16)5-6-13(10)17(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H3,15,16)
InChIKeyWTRKTBCPSMUBRO-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55152264
4-methyl-2-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 55057250
5-chloro-2-[methyl(oxan-2-ylmethyl)amino]benzenecarboximidamide
CID 62493777
3-bromo-4-[cyclopentylmethyl(methyl)amino]benzenecarboximidamide
CID 82799214
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
3-chloro-4-[cyclopropylmethyl(methyl)amino]benzenecarboximidamide
CID 63088227
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935
1-[3-fluoro-4-[methyl(oxolan-2-ylmethyl)amino]phenyl]ethanone
CID 61432381
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
[5-methyl-2-[methyl(oxolan-2-ylmethyl)amino]phenyl]methanol
CID 114054435
3-chloro-4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzenecarboximidamide
CID 102667814

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide (CID 61432084) is 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC2CCCO2)c(C)c1.
What is the InChIKey of 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is WTRKTBCPSMUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-11(14(15)16)5-6-13(10)17(2)9-12-4-3-7-18-12/h5-6,8,12H,3-4,7,9H2,1-2H3,(H3,15,16).
What are the key properties of 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide?
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 61432084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).