3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride

C20H27ClN2 — CID 15945547

IUPAC3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCc1cccc(C)c1/C(=N/CCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C20H26N2.ClH/c1-16-10-8-11-17(2)19(16)20(18-12-6-5-7-13-18)21-14-9-15-22(3)4;/h5-8,10-13H,9,14-15H2,1-4H3;1H/b21-20+;
InChIKeyPSGMPFOQLYVYRX-ANVLNOONSA-N
MW330.90 g/mol
LogP4.51
Rot. Bonds6

About 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride

3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 15945547) has the molecular formula C20H27ClN2 and a molecular weight of 330.90 g/mol. Its IUPAC name is 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID15945547
Molecular FormulaC20H27ClN2
Molecular Weight330.90 g/mol
Exact Mass330.19
IUPAC Name3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCc1cccc(C)c1/C(=N/CCCN(C)C)c1ccccc1.Cl
InChIInChI=1S/C20H26N2.ClH/c1-16-10-8-11-17(2)19(16)20(18-12-6-5-7-13-18)21-14-9-15-22(3)4;/h5-8,10-13H,9,14-15H2,1-4H3;1H/b21-20+;
InChIKeyPSGMPFOQLYVYRX-ANVLNOONSA-N
XLogP4.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.90
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride (CID 15945547) is 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride is Cc1cccc(C)c1/C(=N/CCCN(C)C)c1ccccc1.Cl.
What is the InChIKey of 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is PSGMPFOQLYVYRX-ANVLNOONSA-N. The full InChI is InChI=1S/C20H26N2.ClH/c1-16-10-8-11-17(2)19(16)20(18-12-6-5-7-13-18)21-14-9-15-22(3)4;/h5-8,10-13H,9,14-15H2,1-4H3;1H/b21-20+;.
What are the key properties of 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 330.90 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,6-dimethylphenyl)-phenylmethylidene]amino]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 15945547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).