2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide

C30H39N3 — CID 20660748

IUPAC2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide
SMILESCc1cccc(C(C)C)c1/N=C(/Nc1c(C)cccc1C(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C30H39N3/c1-20(2)25-17-11-13-22(5)28(25)31-30(27-16-10-9-15-24(27)19-33(7)8)32-29-23(6)14-12-18-26(29)21(3)4/h9-18,20-21H,19H2,1-8H3,(H,31,32)
InChIKeyKZVZPLKDPLDCQR-UHFFFAOYSA-N
MW441.66 g/mol
LogP7.80
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide

2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide (PubChem CID 20660748) has the molecular formula C30H39N3 and a molecular weight of 441.66 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide
PubChem CID20660748
Molecular FormulaC30H39N3
Molecular Weight441.66 g/mol
Exact Mass441.31
IUPAC Name2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide
SMILESCc1cccc(C(C)C)c1/N=C(/Nc1c(C)cccc1C(C)C)c1ccccc1CN(C)C
InChIInChI=1S/C30H39N3/c1-20(2)25-17-11-13-22(5)28(25)31-30(27-16-10-9-15-24(27)19-33(7)8)32-29-23(6)14-12-18-26(29)21(3)4/h9-18,20-21H,19H2,1-8H3,(H,31,32)
InChIKeyKZVZPLKDPLDCQR-UHFFFAOYSA-N
XLogP7.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 57.80
H-Bond Donors ≤ 51
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

2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
CID 101440233
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
CID 108953169

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide (CID 20660748) is 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide is Cc1cccc(C(C)C)c1/N=C(/Nc1c(C)cccc1C(C)C)c1ccccc1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide?
The InChIKey is KZVZPLKDPLDCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3/c1-20(2)25-17-11-13-22(5)28(25)31-30(27-16-10-9-15-24(27)19-33(7)8)32-29-23(6)14-12-18-26(29)21(3)4/h9-18,20-21H,19H2,1-8H3,(H,31,32).
What are the key properties of 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide?
2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide has a molecular weight of 441.66 g/mol, XLogP of 7.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N,N'-bis(2-methyl-6-propan-2-ylphenyl)benzenecarboximidamide is sourced from PubChem (CID 20660748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).