N-[(E)-2-phenylethylideneamino]propan-2-amine

C11H16N2 — CID 118526660

IUPACN-[(E)-2-phenylethylideneamino]propan-2-amine
SMILESCC(C)N/N=C/Cc1ccccc1
InChIInChI=1S/C11H16N2/c1-10(2)13-12-9-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/b12-9+
InChIKeyHTDPCPRSEUHACY-FMIVXFBMSA-N
MW176.26 g/mol
LogP2.21
Rot. Bonds4

About N-[(E)-2-phenylethylideneamino]propan-2-amine

N-[(E)-2-phenylethylideneamino]propan-2-amine (PubChem CID 118526660) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[(E)-2-phenylethylideneamino]propan-2-amine.

Molecular Properties

Compound NameN-[(E)-2-phenylethylideneamino]propan-2-amine
PubChem CID118526660
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[(E)-2-phenylethylideneamino]propan-2-amine
SMILESCC(C)N/N=C/Cc1ccccc1
InChIInChI=1S/C11H16N2/c1-10(2)13-12-9-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/b12-9+
InChIKeyHTDPCPRSEUHACY-FMIVXFBMSA-N
XLogP2.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-2-phenylethylideneamino]propan-2-amine?
The IUPAC name of N-[(E)-2-phenylethylideneamino]propan-2-amine (CID 118526660) is N-[(E)-2-phenylethylideneamino]propan-2-amine.
What is the SMILES notation for N-[(E)-2-phenylethylideneamino]propan-2-amine?
The canonical SMILES for N-[(E)-2-phenylethylideneamino]propan-2-amine is CC(C)N/N=C/Cc1ccccc1.
What is the InChIKey of N-[(E)-2-phenylethylideneamino]propan-2-amine?
The InChIKey is HTDPCPRSEUHACY-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H16N2/c1-10(2)13-12-9-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3/b12-9+.
What are the key properties of N-[(E)-2-phenylethylideneamino]propan-2-amine?
N-[(E)-2-phenylethylideneamino]propan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-phenylethylideneamino]propan-2-amine is sourced from PubChem (CID 118526660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).