N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine

C14H23N3 — CID 117066563

IUPACN',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine
SMILESC/C(Cc1ccccc1)=N\NCCCN(C)C
InChIInChI=1S/C14H23N3/c1-13(12-14-8-5-4-6-9-14)16-15-10-7-11-17(2)3/h4-6,8-9,15H,7,10-12H2,1-3H3/b16-13+
InChIKeyDGXKROUXTQTWIE-DTQAZKPQSA-N
MW233.36 g/mol
LogP2.15
Rot. Bonds7

About N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine

N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine (PubChem CID 117066563) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine
PubChem CID117066563
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine
SMILESC/C(Cc1ccccc1)=N\NCCCN(C)C
InChIInChI=1S/C14H23N3/c1-13(12-14-8-5-4-6-9-14)16-15-10-7-11-17(2)3/h4-6,8-9,15H,7,10-12H2,1-3H3/b16-13+
InChIKeyDGXKROUXTQTWIE-DTQAZKPQSA-N
XLogP2.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine (CID 117066563) is N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine is C/C(Cc1ccccc1)=N\NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine?
The InChIKey is DGXKROUXTQTWIE-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H23N3/c1-13(12-14-8-5-4-6-9-14)16-15-10-7-11-17(2)3/h4-6,8-9,15H,7,10-12H2,1-3H3/b16-13+.
What are the key properties of N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine?
N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(E)-1-phenylpropan-2-ylideneamino]propane-1,3-diamine is sourced from PubChem (CID 117066563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).